SCHEMBL819997

SCHEMBL819997

N#Cc1ccc(C#N)c2cc3ccccc3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
IMPDH2 P12268 2/20 0.45
IMPDH1 P20839 2/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
AR P10275 1/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
Anthracene SCHEMBL28302098 0.88 IMPDH2 (0.53) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL27914677 0.88 CA1 (0.43) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL5749182 0.88 ALDH1A1 (0.44) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL11423777 0.88 TSHR (0.47) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL21298083 0.85 CA1 (0.52) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL21298078 0.85 CA1 (0.52) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL31085570 0.84 TSHR (0.44) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL31588139 0.84 ALDH1A1 (0.42) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL29176694 0.84 CYP11B1 (0.42) CA1CA2IMPDH2IMPDH1ALDH1A1
SCHEMBL31050902 0.84 CA1 (0.52) CA1CA2IMPDH2IMPDH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016205405-A1 COORDINATION POLYMER NDSU RESEARCH FOUNDATION (US) 2016-12-22 WO 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
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
WO-2016205405-A1 COORDINATION POLYMER NDSU RESEARCH FOUNDATION (US) 2016-12-22 WO 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-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
US-4249022-A Process for the manufacture of 1,4-disubstituted bicyclic or tricyclic compounds and new 1,4-disubstituted bicyclic compounds CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed
US-4154754-A 1,4-Dicyanonaphthalenes CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4048212-A Process for the manufacture of 1,4-dicyanonaphthalenes CIBA-GEIGY CORPORATION (US) 1977-09-13 US disclosed
US-4011261-A PROCESS FOR THE MANUFACTURE OF 1,4-DISUBSTITUTED BICYCLIC OR TRICYCLIC COMPOUNDS AND NEW 1,4-DISUBSTITUTED BICYCLIC COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-08 US disclosed