SCHEMBL818940

SCHEMBL818940

N#Cc1cccc2cc3cccc(C#N)c3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
TSHR P16473 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
GRM4 Q14833 1/20 0.38
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PNMT P11086 1/20 0.36
IMPDH2 P12268 1/20 0.35

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
SCHEMBL18322219 0.93 HTT (0.53) HTTCA1CA2CLK1DYRK1A
SCHEMBL32172 0.91 CA1 (0.52) HTTCA1CA2CLK1DYRK1A
SCHEMBL31050903 0.91 CA1 (0.52) HTTCA1CA2CLK1DYRK1A
SCHEMBL31050902 0.91 CA1 (0.52) HTTCA1CA2CLK1DYRK1A
SCHEMBL16875674 0.89 CA1 (0.50) HTTCA1CA2CLK1DYRK1A
SCHEMBL30858824 0.89 CA1 (0.50) HTTCA1CA2CLK1DYRK1A
SCHEMBL28488846 0.89 CA1 (0.50) HTTCA1CA2CLK1DYRK1A
SCHEMBL5745596 0.88 HTT (0.43) HTTCA1CA2CLK1DYRK1A
SCHEMBL5749799 0.81 HTT (0.44) HTTCA1CA2CLK1DYRK1A
Acridine SCHEMBL27703258 0.81 ALDH1A1 (0.53) HTTCA1CA2TSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020878-A A kind of fluorescent molecule, preparation method and application identifying mercury ion 四川中科微纳科技有限公司 2018-12-18 CN claimed
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-109020878-A A kind of fluorescent molecule, preparation method and application identifying mercury ion 四川中科微纳科技有限公司 2018-12-18 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