SCHEMBL819196

SCHEMBL819196

N#Cc1cc2cccccc-2c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 4/20 0.44
MCL1 Q07820 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL18411427 0.85 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDMCL1NPSR1
SCHEMBL18411358 0.85 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDMCL1NPSR1
SCHEMBL769515 0.83 SMN1; SMN2 (0.51) ALDH1A1KDM4EHPGDNPSR1GABRG2
SCHEMBL30359283 0.83 SMN1; SMN2 (0.51) ALDH1A1KDM4EHPGDNPSR1GABRG2
SCHEMBL22609642 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMCL1NPSR1
Methane SCHEMBL28932814 0.82 SMN1; SMN2 (0.50) ALDH1A1KDM4EHPGDNPSR1GABRG2
SCHEMBL30513178 0.80 ESR2 (0.52) ALDH1A1KDM4EHPGDMCL1NPSR1
SCHEMBL12679857 0.79 HPGD (0.44) ALDH1A1KDM4EHPGDNPSR1L3MBTL1
SCHEMBL18411451 0.79 MAPK1 (0.51) ALDH1A1KDM4EHPGDNPSR1L3MBTL1
SCHEMBL820505 0.78 ESR2 (0.48) ALDH1A1KDM4EHPGDNPSR1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
CN-109705343-A Azulenyl covalent triazine skeleton and its application 上海交通大学 2019-05-03 CN disclosed
US-10081688-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2018-09-25 US disclosed
US-20170002112-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP disclosed
US-9447213-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2016-09-20 US disclosed
US-20140275403-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US disclosed
CN-102361888-B Polymers functionalized with polycyano compounds BRIDGESTONE CORP 2013-11-20 CN disclosed
CN-102361888-A Polymers functionalized with polycyano compounds BRIDGESTONE CORP 2012-02-22 CN disclosed
US-20110288200-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2011-11-24 US disclosed
EP-2382241-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085631-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed