Benzonitrile

Benzonitrile

SCHEMBL4156207

N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[C]=O.[C]=O.[W]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
MAOB P27338 4/20 0.50
MAOA P21397 3/20 0.50
MAPT P10636 3/20 0.44
APP P05067 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CA2 P00918 4/20 0.42
CYP2A6 P11509 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNA5 P22460 1/20 0.40
CA1 P00915 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 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
Benzonitrile SCHEMBL4165728 1.00 TSHR (0.78) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL4152939 1.00 TSHR (0.78) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL4151051 1.00 TSHR (0.78) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL4154095 1.00 TSHR (0.78) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL4165711 0.91 TSHR (0.93) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL27750832 0.91
Benzonitrile SCHEMBL29059725 0.88 TSHR (0.88) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL11044747 0.88
Benzonitrile SCHEMBL9464940 0.88 TSHR (1.00) TSHRMAOBMAOAMAPTAPP
Benzonitrile SCHEMBL30929383 0.88 TSHR (1.00) TSHRMAOBMAOAMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022891-A1 METHOD OF FORMING METAL FILM JSR CORPORATION (JP) 2009-01-22 US disclosed
EP-1995347-A1 METHOD OF FORMING METAL FILM JSR Corporation (JP) 2008-11-26 EP disclosed