SCHEMBL820505

SCHEMBL820505

N#Cc1cccc2cccc-2c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL30359283 0.96 SMN1; SMN2 (0.51) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL769515 0.96 SMN1; SMN2 (0.51) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
Methane SCHEMBL28932814 0.94 SMN1; SMN2 (0.50) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL30513178 0.92 ESR2 (0.52) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
Bicarbonate SCHEMBL7256332 0.89 ALDH1A1 (0.49) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL11132592 0.88 ESR2 (0.43) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL2753256 0.88 ESR2 (0.43) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL18411428 0.88 SMN1; SMN2 (0.49) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
Phenol SCHEMBL27481064 0.87 ESR2 (0.61) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E
SCHEMBL20165895 0.86 GSK3A (0.45) ESR2SMN1; SMN2HIF1AALDH1A1KDM4E

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 13 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
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