SCHEMBL1145816

SCHEMBL1145816

Cc1ccc(CS)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
IDO1 P14902 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TAAR1 Q96RJ0 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNF P01375 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL14194626 0.82 IDO1 (0.46) IDO1TDP1TP53ALDH1A1TAAR1
SCHEMBL5352730 0.80 TAAR1 (0.56) IDO1TDP1TP53ALDH1A1KDM4E
SCHEMBL3299248 0.79 PYCR1 (0.47) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL6547406 0.79 TAAR1 (0.48) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL2100606 0.78 IDO1 (0.42) PYCR1IDO1TDP1TP53TAAR1
SCHEMBL10039342 0.78 PYCR1 (0.40) PYCR1IDO1TDP1TP53ALDH1A1
SCHEMBL5350848 0.77 PYCR1 (0.46) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL168406 0.77 PYCR1 (0.46) PYCR1TDP1TP53ALDH1A1KDM4E
SCHEMBL24073162 0.76 IDO1 (0.41) IDO1KDM4ETAAR1HTTSMN1; SMN2
SCHEMBL8587112 0.76 PYCR1 (0.47) PYCR1IDO1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084824-A Synthesis method of antidepressant drug, namely voethidine 万特制药(海南)有限公司 2024-05-28 CN claimed
CN-117019156-A Supported metal cluster catalyst and preparation method thereof 南京大学 2023-11-10 CN claimed
CN-118209645-A Method for detecting 2, 4-dimethylbenzene thiophenol related substances 重庆药友制药有限责任公司 2024-06-18 CN disclosed
CN-118084824-A Synthesis method of antidepressant drug, namely voethidine 万特制药(海南)有限公司 2024-05-28 CN disclosed
CN-117924215-A Synthesis method of vothixetine 万全万特制药(厦门)有限公司 2024-04-26 CN disclosed
CN-115181077-B Synthesis method of vortioxetine with low impurity content 安徽峆一药业股份有限公司 2024-03-29 CN disclosed
CN-117451878-A Method for detecting related substances of key intermediate of voathixetine hydrobromide 山东京卫制药有限公司 2024-01-26 CN disclosed
CN-115536610-B Preparation method of vothixetine 湖南省湘中制药有限公司 2024-01-23 CN disclosed
CN-117024343-A Near infrared fluorescent probe and preparation method and application thereof 上海工程技术大学 2023-11-10 CN disclosed
CN-116103684-A Preparation method of noble metal atomic layer, noble metal catalytic material and application thereof 南京工业大学 2023-05-12 CN disclosed
US-20160164075-A1 PROCESS FOR PRODUCING AN ACTIVE CATHODE MATERIAL COMPRISING A MIXTURE OF A METAL OXIDE AND A METAL SULFIDE AND USE OF THE ACTIVE CATHODE MATERIAL IN RECHARGEABLE ELECTROCHEMICAL CELLS BASF SE (DE) 2016-06-09 US disclosed
WO-2002067913-A1 (Z)-STYRYLBENZYLSULFONES AND PHARMACEUTICAL USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-06 WO disclosed
US-20010053832-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-20 US disclosed
EP-1134234-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-19 EP disclosed
EP-1081167-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed
US-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0503099-A1 PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed