SCHEMBL28320536

SCHEMBL28320536

Cc1cc(/C=C/c2ccc(F)cc2)cc(-c2cn[nH]n2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.49
▸ METAP2 P50579 5/20 0.49
▸ METAP1 P53582 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.44
▸ PHF8 Q9UPP1 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ KEAP1 Q14145 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL28320616 0.81 IDO1 (0.63) IDO1METAP2NFE2L2KEAP1NOTUM
SCHEMBL28321695 0.79 IDO1 (0.41) IDO1METAP2NFE2L2PHF8MAPK14
SCHEMBL28321698 0.76 NFE2L2 (0.44) NFE2L2PTGS1ALOX5PTGS2NQO2
SCHEMBL16399197 0.74 ERBB2 (0.58) NFE2L2PTGS1ALOX5PTGS2NQO2
SCHEMBL16399196 0.74 ERBB2 (0.58) NFE2L2PTGS1ALOX5PTGS2NQO2
SCHEMBL28321690 0.74 NFE2L2 (0.45) NFE2L2PTGS1ALOX5PTGS2NQO2
SCHEMBL104083 0.72 METAP2 (0.64) IDO1METAP2METAP1PHF8MAPK14
SCHEMBL28321705 0.69 IDO1 (0.48) IDO1NFE2L2PHF8PTGS1PTGS2
SCHEMBL16399488 0.69 NFE2L2 (0.39) NFE2L2PTGS1ALOX5PTGS2NQO2
SCHEMBL16399489 0.69 NFE2L2 (0.39) NFE2L2PTGS1ALOX5PTGS2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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