SCHEMBL4554026

SCHEMBL4554026

CCCCCn1ccc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.81
CCND1 P24385 4/20 0.81
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
P2RX7 Q99572 1/20 0.51
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
ABCB1 P08183 2/20 0.50

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
SCHEMBL30495581 1.00 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30376 0.98 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29767815 0.98 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL19748097 0.98 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL31454116 0.98 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL28107377 0.98 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL4976386 0.98 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29374771 0.94 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL464099 0.94 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL15924634 0.89 CDK4 (0.68) CDK4CCND1HTR2AHTR2CTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546235-A Synthetic cannabinoid UR-144 antigen and preparation method thereof 浙江隆基生物技术有限公司 2024-08-27 CN claimed
CN-117815105-A Cosmetic containing peptide composition and preparation method thereof 刘加英 2024-04-05 CN claimed
CN-110183373-B Optically active 1-aryl indole derivative and preparation method and application thereof 浙江大学 2020-10-13 CN claimed
EP-1204650-B1 SUBSTITUTED 2-ARYLBENZAZOLE COMPOUNDS AND THEIR USE AS ANTITUMOUR AGENTS CANCER RES VENTURES LTD (GB) 2006-04-19 EP claimed
US-6858633-B1 Substituted 2-arylbenzazole compounds and their use as antitumour agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-02-22 US claimed
EP-1204650-A1 SUBSTITUTED 2-ARYLBENZAZOLE COMPOUNDS AND THEIR USE AS ANTITUMOUR AGENTS Cancer Research Ventures Limited (GB) 2002-05-15 EP claimed
WO-2001014354-A1 SUBSTITUTED 2-ARYLBENZAZOLE COMPOUNDS AND THEIR USE AS ANTITUMOUR AGENTS CANCER RESEARCH VENTURES LIMITED (GB) 2001-03-01 WO claimed
EP-0734384-B1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2000-08-09 EP claimed
EP-0939077-A2 3-Substituted 1-arylindole compounds as 5-HT2 antagonists H. LUNDBECK A/S (DK) 1999-09-01 EP claimed
US-5789404-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTISEROTONIN AGENTS H. LUNDBECK A/S (DK) 1998-08-04 US claimed
EP-0734384-A1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-10-02 EP claimed
WO-1995016684-A1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1995-06-22 WO claimed
EP-0618799-A1 USE OF ARYLINDOLE DERIVATIVES FOR THE TREATMENT OF PSYCHOSES H. LUNDBECK A/S (DK) 1994-10-12 EP claimed
WO-1993012790-A1 USE OF ARYLINDOLE DERIVATIVES FOR THE TREATMENT OF PSYCHOSES H. LUNDBECK A/S (DK) 1993-07-08 WO claimed
JP-54076577-A None JP disclosed
JP-54076576-A None JP disclosed
JP-63079873-A None JP disclosed
JP-S5476576-A PREPARATION OF 1-ACYL-2,3-DIACYLOXYINDOLINE MITSUI PETROCHEM IND LTD 1979-06-19 JP disclosed
JP-S5476577-A 1-ACYLINDOLINE DERIVATIVE MITSUI PETROCHEM IND LTD 1979-06-19 JP disclosed
US-4046752-A Process for preparing an azo compound from a 2-aminothiazole diazo component HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed