Benzonitrile

Benzonitrile

SCHEMBL8773388

CCCCCCCCNCCCCCCCC.N#Cc1ccccc1

nearest known ligand 0.56

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.56
▸ TSHR P16473 3/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM2 P08172 1/20 0.44
▸ NAAA Q02083 1/20 0.44
▸ ESR1 P03372 7/20 0.43
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 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
Benzonitrile SCHEMBL8746686 1.00 SIGMAR1 (0.56) SIGMAR1TSHRMGLLHSD17B10ALDH1A1
Benzonitrile SCHEMBL8746681 0.93 TSHR (0.54) SIGMAR1TSHRMGLLHSD17B10ALDH1A1
Benzonitrile SCHEMBL11429781 0.87 EPHX1 (0.56) SIGMAR1TSHRMGLLHSD17B10ALDH1A1
Benzonitrile SCHEMBL27895198 0.87 TSHR (0.67) TSHRMGLLHSD17B10ALDH1A1
SCHEMBL11642729 0.82 TBXA2R (0.45) SIGMAR1TSHRMGLLHSD17B10ALDH1A1
Phenylacetylene SCHEMBL2832826 0.82 SIGMAR1 (0.56) SIGMAR1TSHRALDH1A1CHRM2NAAA
Benzonitrile SCHEMBL11786906 0.81 ADH1B (0.55) SIGMAR1TSHRMGLLHSD17B10NAAA
Benzonitrile SCHEMBL28758173 0.80 TSHR (0.52) TSHRMGLLHSD17B10ALDH1A1NAAA
Biphenyl SCHEMBL22832517 0.79 SIGMAR1 (0.66) SIGMAR1TSHRALDH1A1CHRM2NAAA
Biphenyl SCHEMBL5716029 0.79 SIGMAR1 (0.66) SIGMAR1TSHRALDH1A1CHRM2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639587-B1 Diene polymers and copolymers terminated with compounds having multiple-bonded nitrogen atoms and partially crosslinked with polyfunctional reagents BRIDGESTONE FIRESTONE INC (US) 1997-10-22 — — EP disclosed
EP-0543305-B1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from fused-ring polynuclear aromatic compounds or aromatic nitrile compounds BRIDGESTONE CORP (JP) 1995-10-11 — — EP disclosed
EP-0639587-A1 Diene polymeres and copolymers terminated with compounds having multiple-bonded nitrogen atoms and partially crosslinked with polyfunctional reagents BRIDGESTONE/FIRESTONE, INC. (US) 1995-02-22 — — EP disclosed
US-5310798-A Tire treads BRIDGESTONE/FIRESTONE, INC. (US) 1994-05-10 — — US disclosed
US-5254628-A Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from aromatic nitrile compounds BRIDGESTONE CORPORATION (JP) 1993-10-19 — — US disclosed
EP-0543305-A1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from fused-ring polynuclear aromatic compounds or aromatic nitrile compounds BRIDGESTONE CORPORATION (JP) 1993-05-26 — — EP disclosed
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