SCHEMBL7445283

SCHEMBL7445283

Cn1c(-c2cccc(C(=O)O)c2)nc(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
CSNK1D P48730 3/20 0.58
PTGER1 P34995 1/20 0.51
FABP4 P15090 2/20 0.47
FABP5 Q01469 1/20 0.47
ALOX5 P09917 1/20 0.46
MAPK13 O15264 2/20 0.46
GCGR P47871 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
TNK2 Q07912 1/20 0.44
CSNK1E P49674 1/20 0.44
KMO O15229 2/20 0.44

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
SCHEMBL4422522 0.88 MAPK14 (0.59) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL5079652 0.88 MAPK14 (0.59) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4426392 0.83 MAPK14 (0.52) MAPK14CSNK1DPTGER1FABP4FABP5
SCHEMBL8488765 0.79 MAPK14 (0.55) MAPK14CSNK1DPTGER1FABP4FABP5
SCHEMBL7228732 0.79 RAF1 (0.57) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4426390 0.79 RAF1 (0.57) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL27372589 0.78 MAPK14 (0.49) MAPK14CSNK1DPTGER1FABP4FABP5
SCHEMBL20271796 0.77 FABP4 (0.51) MAPK14CSNK1DPTGER1FABP4FABP5
SCHEMBL1808538 0.76 HDAC1 (0.57)
SCHEMBL5082516 0.75 MAPK14 (0.53) MAPK14CSNK1DPTGER1FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed