SCHEMBL7445486

SCHEMBL7445486

Cc1ccccc1SCc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MAOA P21397 4/20 0.56
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
CYP2A6 P11509 1/20 0.48
AR P10275 1/20 0.48
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL23599227 0.81 MAOA (0.57) MAOBMAOATSHRALDH1A1RECQL
SCHEMBL9123789 0.80 MAOB (0.56) MAOBMAOATSHRCYP2A6RAB9A
SCHEMBL29700326 0.80 POLB (0.61) TSHRALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL6916799 0.80 POLB (0.61) TSHRALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL23235819 0.78 MAOB (0.58) MAOBMAOATSHRALDH1A1RECQL
SCHEMBL11295153 0.77 MAPK1 (0.49) MAOBMAOATSHRALDH1A1RAB9A
SCHEMBL13319332 0.75 MAOB (0.86) MAOBMAOATSHRCYP2A6RAB9A
SCHEMBL12603762 0.75 RAB9A (0.51) MAOBMAOATSHRALDH1A1RAB9A
SCHEMBL7508466 0.73 MAOB (0.60) MAOBMAOAALDH1A1CYP2A6L3MBTL1
SCHEMBL22572556 0.72 MAOB (0.70) MAOBMAOATSHRALDH1A1RECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed
EP-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed