SCHEMBL514630

SCHEMBL514630

CSc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.50
AR P10275 5/20 0.46
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PGR P06401 1/20 0.37
CA1 P00915 1/20 0.36

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
Fluoride SCHEMBL28296217 0.98 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8576872 0.88 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL22253446 0.80 TSHR (0.45) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL7534958 0.80 TSHR (0.40) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL224653 0.80 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL100732 0.80 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL30320250 0.80 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL29700306 0.80 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL14998080 0.80 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL6414322 0.80 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4590675-A1 HETEROCYCLIC SIK INHIBITORS Pfizer Inc. (US) 2025-07-30 EP claimed
CN-119985443-A Gold-silver alloy nano probe based on dual-signal cooperative detection, preparation method and application thereof 延边大学 2025-05-13 CN claimed
CN-115448860-B Synthesis method of o-methylthio benzonitrile 上海海客宜家生物科技有限公司 2024-04-02 CN claimed
WO-2024062360-A1 HETEROCYCLIC SIK INHIBITORS PFIZER INC. (US) 2024-03-28 WO claimed
CN-116943590-B Process for improving yield of 1, 2-benzisothiazolin-3-one 安徽屹墩科技股份有限公司 2024-02-23 CN claimed
CN-116943590-A Process for improving yield of 1, 2-benzisothiazolin-3-one 安徽屹墩科技股份有限公司 2023-10-27 CN claimed
CN-115872945-A Synthesis method of N-methyl-1,2-benzisothiazolin-3-one 联化科技(德州)有限公司 2023-03-31 CN claimed
CN-115448860-A Synthetic method of o-methylthiobenzonitrile 上海海客宜家生物科技有限公司 2022-12-09 CN claimed
WO-2022091014-A1 INDUSTRIAL METHOD OF PRODUCING BENZISOTHIAZOLINONE HIKAL LIMITED (IN) 2022-05-05 WO claimed
CN-114044747-A Synthetic method of o-methylthiobenzonitrile 大连百傲化学股份有限公司 2022-02-15 CN claimed
CN-103145638-A New preparation method of 2-butyl-1,2-benzoisothiazolin-3-ketone (BBIT) SHANGHAI TIANLAN BIOTECHNOLOGY CO LTD 2013-06-12 CN claimed
EP-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 EP claimed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP claimed
CN-1061975-C Cyanothiophenyl halide and process for producing the same SUMITOMO SEIKA CHEMICALS (JP) 2001-02-14 CN claimed
EP-0741129-B1 Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using it SUMITOMO SEIKA CHEMICALS (JP) 1999-06-09 EP claimed
US-5679827-A Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-10-21 US claimed
EP-0741129-A2 Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using it SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-06 EP claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed