SCHEMBL8539151

SCHEMBL8539151

Nc1ccc(-c2ncc[nH]2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
NISCH Q9Y2I1 2/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL28654223 0.84 NISCH (0.50) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL5248703 0.83 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL32667989 0.81 CSNK1A1 (0.42) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537911 0.81 AMY1A (0.45) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL15651168 0.80 NISCH (0.46) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8536469 0.80 CSNK1A1 (0.41) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8541165 0.79 NISCH (0.53) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL1045307 0.79 NISCH (0.44) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL4063139 0.79 ALDH1A1 (0.41) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL31332460 0.79 CSNK1A1 (0.41) CSNK1A1TYRO3DYRK1BNISCHMTOR

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed