SCHEMBL497768

SCHEMBL497768

CN(C)[C]c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
APP P05067 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 2/20 0.40
ALDH1A1 P00352 2/20 0.36
KCNN4 O15554 1/20 0.36
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 2/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33

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
Carbon Monoxide SCHEMBL11235869 0.90 NPSR1 (0.41) TSHRAPPNPSR1GRM5ALDH1A1
SCHEMBL2552447 0.72 APP (0.55) TSHRAPPNPSR1GRM5ALDH1A1
Trimethylammonium SCHEMBL27539624 0.69 NPSR1 (0.45) TSHRAPPNPSR1GRM5ALDH1A1
Phenylacetylene SCHEMBL27726827 0.69 HDAC8 (0.44) TSHRAPPNPSR1GRM5ALDH1A1
Benzonitrile SCHEMBL2154015 0.67 TSHR (0.88) TSHRAPPALDH1A1MAPT
Benzonitrile SCHEMBL27895262 0.67 TSHR (0.88) TSHRAPPALDH1A1MAPT
SCHEMBL2009774 0.65 GRM5 (0.41) TSHRAPPNPSR1GRM5ALDH1A1
SCHEMBL11335960 0.65 APP (0.39) TSHRAPPNPSR1GRM5ALDH1A1
SCHEMBL10643116 0.65 TSHR (0.42) TSHRAPPNPSR1GRM5ALDH1A1
Benzonitrile SCHEMBL6640 0.65

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 533 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP claimed
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US claimed
US-7671136-B2 Modified polymers prepared with lanthanide-based catalysts BRIDGESTONE CORPORATION (JP) 2010-03-02 US claimed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US claimed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP claimed
US-20060025539-A1 Modified polymers prepared with lanthanide-based catalysts OZAWA YOICHI 2006-02-02 US claimed
US-6977281-B1 Modified polymers prepared with lanthanide-based catalysts BRIDGESTONE CORPORATION (JP) 2005-12-20 US claimed
EP-1237935-A1 MODIFIED POLYMERS PREPARED WITH LANTHANIDE-BASED CATALYSTS Bridgestone Corporation (JP) 2002-09-11 EP claimed
WO-2001034659-A1 MODIFIED POLYMERS PREPARED WITH LANTHANIDE-BASED CATALYSTS BRIDGESTONE CORPORATION (JP) 2001-05-17 WO claimed
EP-0495603-B1 Hydrogel material PILKINGTON BARNES HIND INC (US) 1998-10-14 EP claimed
EP-0510410-B1 Diene polymers and copolymers jumped by partial coupling and terminated with a substituted imine BRIDGESTONE FIRESTONE INC (US) 1996-06-12 EP claimed
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 claimed
EP-0451604-B1 Diene polymers and copolymers terminated by reaction with n-alkyl and n-aryl imines BRIDGESTONE FIRESTONE INC (US) 1994-12-21 EP claimed
US-5310798-A Tire treads BRIDGESTONE/FIRESTONE, INC. (US) 1994-05-10 US claimed
US-5227431-A DIENE POLYMERS AND COPOLYMERS JUMPED BY PARTIAL CROSSLINKING AND TERMINATED WITH A SUBSTITUTED IMINE BRIDGESTONE/FIRESTONE, INC. (US) 1993-07-13 US claimed
EP-0510410-A1 Diene polymers and copolymers jumped by partial coupling and terminated with a substituted imine BRIDGESTONE/FIRESTONE, INC. (US) 1992-10-28 EP claimed
US-5109907-A Tire treads with reduced rolling resistance BRIDGESTONE/FIRESTONE, INC. (US) 1992-05-05 US claimed
US-5066729-A Tire Treads BRIDGESTONE/FIRESTONE, INC. (US) 1991-11-19 US claimed
EP-0451604-A2 Diene polymers and copolymers terminated by reaction with n-alkyl and n-aryl imines BRIDGESTONE/FIRESTONE, INC. (US) 1991-10-16 EP claimed
US-3935198-A BY HEATING THE PENICILLIN SULFOXIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 US claimed