SCHEMBL3604280

SCHEMBL3604280

c1csc(-c2ccncc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.68
CYP11B1 P15538 1/20 0.68
CYP11B2 P19099 1/20 0.68
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2E1 P05181 1/20 0.65
CYP2A6 P11509 1/20 0.65
CYP2B6 P20813 1/20 0.65
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL19219074 0.95 CYP17A1 (0.69) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL9103132 0.85 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
Pyridine SCHEMBL30984530 0.84 CYP3A4 (0.70) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL1464252 0.84
SCHEMBL338810 0.84 LTA4H (0.70) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL18770350 0.82 CYP17A1 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL7455134 0.81 LTA4H (0.67) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL27709556 0.81 CYP3A4 (0.60) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL29590048 0.79 CYP2A6 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL158705 0.79 CYP2A6 (1.00) CYP17A1CYP11B1CYP11B2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9241522-A None JP disclosed
JP-9241522-A None JP disclosed
CN-119409858-A Protonated product of pyridine derivative and compound, preparation method and application thereof 天津师范大学 2025-02-11 CN disclosed
CN-118290753-A Sulfamic acid-loaded aluminum-based metal organic framework material, preparation method and application thereof 南京理工大学 2024-07-05 CN disclosed
CN-117700457-A Electrochromic compound, preparation method and application 北京大学深圳研究生院 2024-03-15 CN disclosed
CN-117383993-A Direct cross coupling method of aryl thiophenol and aryl bromide 南京工业大学 2024-01-12 CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed
WO-2022152229-A1 CLASS OF MORPHOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-07-21 WO disclosed
CN-111902188-A Treatment of demyelinating diseases 马特恩制药股份公司 2020-11-06 CN disclosed
WO-2019000024-A1 HIGHLY EMISSIVE PYRIDINIUM ENOLATES THE UNIVERSITY OF MELBOURNE (AU) 2019-01-03 WO disclosed
US-5665739-A CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
EP-0602523-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1996-12-11 EP disclosed
US-5556524-A DIAGNOSTICS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1996-09-17 US disclosed
EP-0668277-A1 Bipyridyl-oligothiophene derivatives as electron-conducting materials VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1995-08-23 EP disclosed
EP-0602523-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
US-4870087-A Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-26 US disclosed
EP-0121716-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1987-12-09 EP disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
EP-0121716-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-10-17 EP disclosed