SCHEMBL2761059

SCHEMBL2761059

CCN1C=CN(C)C1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2760739 0.87 CYP2D6 (0.41) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL27797107 0.87 TSHR (0.48) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL28977647 0.86 RXRA (0.34) CYP2D6KMT2ATSHRALDH1A1LMNA
SCHEMBL27831752 0.86 CYP2D6 (0.51) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL28433562 0.85 ALDH1A1 (0.40) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL28226770 0.85 ALDH1A1 (0.40) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL28365499 0.85 ALDH1A1 (0.40) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL28840031 0.85 ALDH1A1 (0.40) CYP2D6PKMKMT2ATSHRALDH1A1
SCHEMBL28493505 0.85 CYP2D6 (0.41) CYP2D6PKMKMT2ATSHRALDH1A1
Quinoline SCHEMBL27621978 0.84 ALDH1A1 (0.49) CYP2D6KMT2AALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119852361-A Negative electrode active material, preparation method thereof and lithium ion battery 湖北斯诺新材料科技有限公司 2025-04-18 CN claimed
CN-119020070-B Method for preparing high-density multi-ring aviation fuel from biomass platform compound 中国矿业大学 2025-03-21 CN claimed
CN-118666701-A Preparation method of acyl amino acid surfactant 广州花语精细化工有限公司 2024-09-20 CN claimed
CN-118522947-A Low-temperature polymer lithium battery and preparation method thereof 深圳市量能科技有限公司 2024-08-20 CN claimed
CN-118005555-A Anti-tumor indole alkaloids and preparation method and application thereof 南京中医药大学 2024-05-10 CN claimed
CN-114797379-B Air purifying liquid containing ionic liquid and preparation method and application thereof 上海宜室建筑环境工程有限公司 2023-08-29 CN claimed
CN-110819445-B Method for removing polycyclic aromatic hydrocarbon from grease 丰益(上海)生物技术研发中心有限公司 2023-05-02 CN claimed
CN-111435705-B Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2023-04-07 CN claimed
CN-115911541-A Solid polymer electrolyte containing ionic liquid and preparation method thereof 中国科学院长春应用化学研究所 2023-04-04 CN claimed
CN-115710735-A Electrotinning solution and preparation method and application thereof 广东光华科技股份有限公司 2023-02-24 CN claimed
CN-113426490-A Method for preparing mercury-free catalyst by adding dichloroethane 宁夏新龙蓝天科技股份有限公司 2021-09-24 CN claimed
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 杭州纤纳光电科技有限公司 2020-12-15 CN claimed
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2020-07-21 CN claimed
CN-110819445-A Method for removing polycyclic aromatic hydrocarbon from grease 丰益(上海)生物技术研发中心有限公司 2020-02-21 CN claimed
CN-105283481-B Hydrolysis-resistant polyurethane moulded bodies made of polyester polyurethane 巴斯夫欧洲公司 2017-07-25 CN claimed
CN-103619937-B The composition with the frictional coefficient of reduction, the method preparing it and comprise its goods SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2016-01-06 CN claimed
CN-103619937-A Compositions having reduced frictional coefficient, method of manufacture thereof and articles comprising the same SABIC INNOVATIVE PLASTICS IP 2014-03-05 CN claimed
CN-101657552-B Method for the elution of 18F fluoride trapped on an anion-exchange resin in a form suitable for efficient radiolabeling without any evaporation step TRASIS S A 2012-12-12 CN claimed
CN-101657552-A As without any need for evaporation step be applicable to effective radiolabeled form be captured in that anionresin goes up mutually 18The elution process of F fluorochemical TRASIS S A 2010-02-24 CN claimed
CN-101048340-A Method for separating gases SOLVAY FLUOR GMBH (DE) 2007-10-03 CN claimed