SCHEMBL4597178

SCHEMBL4597178

N#Cc1ccc(CSCc2ccc(C#N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
IDO1 P14902 2/20 0.59
LOXL2 Q9Y4K0 2/20 0.56
CYP2A6 P11509 1/20 0.56
MAOB P27338 5/20 0.55
MAOA P21397 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAO P14920 1/20 0.46

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
SCHEMBL29738639 0.91 HTT (0.61) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL22722440 0.87 HTT (0.58) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL20291962 0.87 CYP2A6 (0.59) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL28180117 0.85 IDO1 (0.59) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL2585774 0.82 HTT (0.53) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL1865027 0.82 HTT (0.53) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL1145998 0.81 CYP2A6 (0.58) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL18896292 0.81 IDO1 (0.55) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL22211000 0.81 IDO1 (0.55) HTTIDO1LOXL2CYP2A6MAOB
SCHEMBL1145994 0.81 IDO1 (0.55) HTTIDO1LOXL2CYP2A6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874982-A1 METHOD FOR ELECTRODEPOSITION OF BRONZES Enthone, Inc. (US) 2008-01-09 EP claimed
WO-2006113473-A1 METHOD FOR ELECTRODEPOSITION OF BRONZES ENTHONE INC. (US) 2006-10-26 WO claimed
CN-115772103-A Method for preparing sulfoxide compound by catalytic oxidation of thioether 华东师范大学 2023-03-10 CN disclosed
CN-109134318-B Preparation method of 4-methylsulfonyl acetophenone and α -bromo-4-methylsulfonyl acetophenone 江苏美迪克化学品有限公司 2020-04-17 CN disclosed
EP-1874982-A1 METHOD FOR ELECTRODEPOSITION OF BRONZES Enthone, Inc. (US) 2008-01-09 EP disclosed
WO-2006113473-A1 METHOD FOR ELECTRODEPOSITION OF BRONZES ENTHONE INC. (US) 2006-10-26 WO disclosed
US-4505860-A Cyclic keto-butyraldehydes a process for their preparation, and their use in the preparation of cyclic diisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1985-03-19 US disclosed
EP-0100479-B1 3-(AMINOMETHYL)-1-(3-AMINOPROPYL-1-METHYL)-4-METHYL CYCLOHEXANE, PROCESS FOR ITS PREPARATION AND ITS USE BAYER AG (DE) 1985-03-13 EP disclosed
US-4487966-A 3-Aminomethyl-1-(3-aminopropyl-1-methyl)-4-methylcyclohexane, a process for its preparation and its use BAYER AKTIENGESELLSCHAFT (DE) 1984-12-11 US disclosed
EP-0074561-B1 CYCLIC CETO-BUTYRALDEHYDES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF CYCLIC DIISOCYANATES BAYER AG (DE) 1984-11-21 EP disclosed
EP-0100479-A1 3-(Aminomethyl)-1-(3-aminopropyl-1-methyl)-4-methyl cyclohexane, process for its preparation and its use BAYER AG (DE) 1984-02-15 EP disclosed
EP-0008763-B1 AMINOMETHYL-CYCLODODECANES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTICORROSIVES BAYER AG (DE) 1981-04-01 EP disclosed
US-4251462-A REACTING 1,5,9-CYCLODODECATRIENE WITH CARBON MONOXIDE AND HYDROGEN, REMOVING CATALYST, REACTING WITH HYDROGEN AND AMMONIA BAYER AKTIENGESELLSCHAFT (DE) 1981-02-17 US disclosed
EP-0008763-A1 Aminomethyl-cyclododecanes, a process for their preparation and their use as anticorrosives BAYER AG (DE) 1980-03-19 EP disclosed