Benzonitrile

Benzonitrile

SCHEMBL2033796

CC(C)(C)OC(=O)c1ccccc1.N#Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SLC7A5 Q01650 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL2671976 0.88 CA1 (0.50) ALDH1A1TDP1KMT2AMAPTL3MBTL1
Water SCHEMBL1464126 0.88 TDP1 (0.62) TSHRALDH1A1TDP1HSD17B10KMT2A
SCHEMBL260960 0.86 TDP1 (0.64) TSHRALDH1A1TDP1HSD17B10KMT2A
SCHEMBL29199324 0.86 TDP1 (0.64) TSHRALDH1A1TDP1HSD17B10KMT2A
Hydrogen Peroxide SCHEMBL28474133 0.86 TDP1 (0.64) TSHRALDH1A1TDP1HSD17B10KMT2A
Hydrogen Peroxide SCHEMBL28425777 0.86 TDP1 (0.64) TSHRALDH1A1TDP1HSD17B10KMT2A
SCHEMBL30807353 0.85 GSK3B (0.51) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4444228 0.85 GSK3B (0.51) SLC7A5GABRA1GABRG2GABRB3GABRA3
Hydrochloric Acid SCHEMBL23276979 0.84 TDP1 (0.62) TSHRALDH1A1TDP1HSD17B10KMT2A
SCHEMBL19895794 0.84 TDP1 (0.62) TSHRALDH1A1TDP1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011068365-A2 THE METHOD OF A PDLC TYPE LIGHT CONTROL BODY USED LIGHT WITH LONG WAVELENGTH, THE PDLC TYPE LIGHT CONTROL BODY Q-SYS CO., LTD. (KR) 2011-06-09 WO disclosed