SCHEMBL819504

SCHEMBL819504

N#Cc1cc(C#N)c2cc(C#N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
ESR1 P03372 8/20 0.43
ESR2 Q92731 8/20 0.43
CYP2A6 P11509 1/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
NCEH1 Q6PIU2 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
CYP19A1 P11511 1/20 0.35
PTPN11 Q06124 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
SCHEMBL29420450 0.85 IMPDH2 (0.47) CA1CA2IMPDH2IMPDH1ESR1
SCHEMBL8852599 0.85 IMPDH2 (0.47) CA1CA2IMPDH2IMPDH1ESR1
SCHEMBL13037656 0.80 CA2 (0.55) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL29482237 0.79 CA1 (0.56) CA1CA2IMPDH2IMPDH1NCOA3
SCHEMBL819485 0.79 CA1 (0.56) CA1CA2IMPDH2IMPDH1NCOA3
SCHEMBL16929711 0.79 NCOA3 (0.56) CA1CA2IMPDH2IMPDH1ESR1
SCHEMBL28174467 0.78 CA1 (0.50) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL12310183 0.78 CA2 (0.53) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL12320904 0.78 CA2 (0.53) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL29489120 0.78 CA1 (0.55) CA1CA2IMPDH2IMPDH1

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