SCHEMBL29357899

SCHEMBL29357899

CS(=O)(=O)O.C[C@@H](O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.61
CYP3A4 P08684 17/20 0.63
CYP2C9 P11712 11/20 0.63
CYP2C19 P33261 11/20 0.63
LMNA P02545 2/20 0.63
CYP2B6 P20813 1/20 0.63
CYP3A5 P20815 1/20 0.63
CYP3A7 P24462 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP3A43 Q9HB55 1/20 0.63
CYP46A1 Q9Y6A2 1/20 0.63
HSP90AA1 P07900 1/20 0.61
CYP19A1 P11511 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
CYP51A1 Q16850 1/20 0.61
CYP1A2 P05177 6/20 0.58
CYP2D6 P10635 6/20 0.58
KCNH2 Q12809 3/20 0.56
ABCG2 Q9UNQ0 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28847754 1.00 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL28847757 1.00 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7478959 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7537507 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL30485092 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL2912761 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL10597737 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL18717940 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL2566503 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL1824105 0.93 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNACYP2B6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119979745-A SNP molecular marker related to Eimeria maduramicin drug resistance and application thereof 中国农业大学 2025-05-13 CN claimed
CN-114094166-A Lithium ion battery non-aqueous electrolyte and lithium ion battery 北京胜能能源科技有限公司 2022-02-25 CN claimed
US-12421511-B2 Mutant protein for improving malic acid yield TIANJIN INSTITUTE OF INDUSTRIAL BIOTECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-09-23 US disclosed
US-20250179237-A1 GLYCIDYL ETHER GROUP-CONTAINING COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, AND LAMINATE DIC CORPORATION (JP) 2025-06-05 US disclosed
CN-119979745-A SNP molecular marker related to Eimeria maduramicin drug resistance and application thereof 中国农业大学 2025-05-13 CN disclosed
EP-4527870-A1 GLYCIDYL ETHER GROUP-CONTAINING COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, AND LAMINATE DIC Corporation (JP) 2025-03-26 EP disclosed
CN-115819529-B New muteins for increasing malic acid production 中国科学院天津工业生物技术研究所 2025-03-07 CN disclosed
CN-119403222-A Method for manufacturing transistor, display device, and method for manufacturing display device 三星显示有限公司 2025-02-07 CN disclosed
CN-119345349-A Use of anti-OX 40 antibodies in the manufacture of a medicament 施慧达药业集团(吉林)有限公司 2025-01-24 CN disclosed
CN-118755859-B Multiplex fluorescence quantitative PCR detection kit for common pathogenic bacteria in aquaculture, application and detection method 烟台大学 2024-12-13 CN disclosed
CN-118755859-A Multiplex fluorescence quantitative PCR detection kit for common pathogenic bacteria in aquaculture, application and detection method 烟台大学 2024-10-11 CN disclosed
CN-112114080-B Method for detecting aripiprazole related substances 扬子江药业集团南京海陵药业有限公司 2022-05-13 CN disclosed
EP-3986893-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION University Of Kentucky Research Foundation (US) 2022-04-27 EP disclosed
CN-114380908-A anti-OX40 antibodies and uses thereof 苏州丁孚靶点生物技术有限公司 2022-04-22 CN disclosed
CN-113214398-B Fully human antibodies against human CD137 and uses thereof 苏州丁孚靶点生物技术有限公司 2022-04-08 CN disclosed
US-11281042-B2 Optical film and display device including the same SAMSUNG DISPLAY CO., LTD. 2022-03-22 US disclosed
CN-108137684-B anti-OX40 antibodies and uses thereof 苏州丁孚靶点生物技术有限公司 2022-03-08 CN disclosed
CN-114094166-A Lithium ion battery non-aqueous electrolyte and lithium ion battery 北京胜能能源科技有限公司 2022-02-25 CN disclosed
CN-111996155-B Method for improving production capacity of L-histidine producing strain 浙江华睿生物技术有限公司 2022-02-11 CN disclosed
EP-3941188-A1 PHYTOCOMPLEX AND EXTRACT OF A MERISTEMATIC CELL LINE SELECTED FROM ECHINACEA PURPUREA Aethera Biotech S.r.l. (IT) 2022-01-26 EP disclosed