SCHEMBL9608256

SCHEMBL9608256

Nc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 6/20 0.61
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
OPRD1 P41143 2/20 0.54
SIGMAR1 Q99720 1/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA5A P35218 4/20 0.54
CA5B Q9Y2D0 4/20 0.54
OGT O15294 2/20 0.51
STIM1 Q13586 4/20 0.51
ORAI1 Q96D31 4/20 0.51
KCNH2 Q12809 1/20 0.51
PTGS2 P35354 4/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
ESRRA P11474 1/20 0.49
MAPK14 Q16539 1/20 0.48

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
SCHEMBL15223923 0.87 OGT (0.53) P2RY14OPRD1SIGMAR1CA1CA2
SCHEMBL29269323 0.87 OGT (0.61) P2RY14MAOAMAOBOPRD1SIGMAR1
SCHEMBL181873 0.86 MAPK14 (0.62) P2RY14MAOAMAOBOPRD1SIGMAR1
SCHEMBL182238 0.86 PTGS2 (0.63) P2RY14MAOAMAOBOPRD1SIGMAR1
SCHEMBL182512 0.86 FLT3 (0.62) P2RY14MAOAMAOBOPRD1SIGMAR1
SCHEMBL182264 0.85 P2RY14 (0.57) P2RY14MAOAMAOBOPRD1SIGMAR1
SCHEMBL26915272 0.85 P2RY14 (0.57) P2RY14MAOAMAOBOPRD1SIGMAR1
SCHEMBL18792487 0.84 P2RY14 (0.51) P2RY14OPRD1SIGMAR1CA1CA2
SCHEMBL26915299 0.82 P2RY14 (0.61) P2RY14OPRD1SIGMAR1OGTSTIM1
SCHEMBL182551 0.82 P2RY14 (0.78) P2RY14OPRD1SIGMAR1KCNH2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180182566-A1 METHOD FOR PREPARING A COMPOSITE ELECTRODE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-06-28 US disclosed
US-9263728-B2 Electrode composite CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-02-16 US disclosed
US-9263728-B2 Electrode composite CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-02-16 US disclosed
US-20120132859-A1 ELECTRODE COMPOSITE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-31 US disclosed
US-20120132859-A1 ELECTRODE COMPOSITE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-31 US disclosed