SCHEMBL507331

SCHEMBL507331

N#Cc1cc2ccccc2cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.62
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
PDPK1 O15530 1/20 0.48

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
SCHEMBL31587903 1.00 CHEK1 (0.62) CHEK1GABRPGABRDGABRA1GABRB1
Fluoride SCHEMBL28210100 0.98 CHEK1 (0.60) CHEK1GABRPGABRDGABRA1GABRB1
Quinoline SCHEMBL28269791 0.86 ALDH1A1 (0.55) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL23706186 0.80 CLK4 (0.48) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL30097003 0.80 CLK4 (0.48) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL1210907 0.78 CYP1A2 (0.48) CHEK1CYP1A2CYP2A6PDPK1ATM
SCHEMBL25276062 0.78 CCNT1 (0.44) CHEK1GABRPGABRDGABRA1GABRB1
SCHEMBL19355079 0.77 NQO1 (0.58) CHEK1CYP1A2CYP2A6L3MBTL1NPC1
SCHEMBL12983898 0.77 CHEK1 (1.00) CHEK1PDPK1
SCHEMBL6846483 0.77 CYP1A2 (0.47) CHEK1CYP1A2CYP2A6PDPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP claimed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US claimed
US-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US claimed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 US claimed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US claimed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US claimed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US claimed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed