Benzonitrile

Benzonitrile

SCHEMBL27923901

N#Cc1ccccc1.NS(N)(=O)=O

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
NPC1 O15118 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
CA2 P00918 8/20 0.52
CA1 P00915 7/20 0.52
CA9 Q16790 7/20 0.52
CA12 O43570 6/20 0.52
MAPT P10636 1/20 0.50
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
PLA2G7 Q13093 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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 SCHEMBL28806619 0.85 TSHR (0.70) TSHRNPC1MTORRAB9ACA2
Benzonitrile SCHEMBL7635221 0.85 TSHR (0.70) TSHRNPC1MTORRAB9ACA2
Benzonitrile SCHEMBL12469615 0.85 TSHR (0.70) TSHRNPC1MTORRAB9ACA2
Benzonitrile SCHEMBL65862 0.85 TSHR (0.70) TSHRNPC1MTORRAB9ACA2
Benzonitrile SCHEMBL29059725 0.84 TSHR (0.88) TSHRCA2CA1CA9CA12
Benzonitrile SCHEMBL22444750 0.84 TSHR (0.88) TSHRCA2CA9CA12MAPT
Benzonitrile SCHEMBL9464940 0.84 TSHR (1.00) TSHRCA2CA9CA12MAPT
Benzonitrile SCHEMBL11044747 0.84
Benzonitrile SCHEMBL30929383 0.84 TSHR (1.00) TSHRCA2CA9CA12MAPT
Benzonitrile SCHEMBL6640 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106107406-A Improve the method for the stability of sweetness enhancers and comprise the compositions of stable sweetness enhancers 赛诺米克斯公司 2016-11-16 CN disclosed
CN-103153096-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 赛诺米克斯公司 2016-08-03 CN disclosed
CN-103153096-A Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers SENOMYX INC 2013-06-12 CN disclosed