SCHEMBL22926080

SCHEMBL22926080

COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cnc2/C(N)=N/O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.43
▸ FLT1 P17948 4/20 0.42
▸ FLT4 P35916 4/20 0.42
▸ KDR P35968 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GSK3B P49841 1/20 0.40
▸ TRPV1 Q8NER1 3/20 0.40
▸ VCP P55072 1/20 0.39
▸ PPARD Q03181 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ KIT P10721 1/20 0.37

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
SCHEMBL29696304 1.00 IMPDH2 (0.43) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL29696317 0.91 NPSR1 (0.43) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL22925756 0.91 NPSR1 (0.43) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL22925796 0.89 IMPDH2 (0.39) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL29696291 0.89 IMPDH2 (0.39) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL22926050 0.89 NPSR1 (0.39) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL29620970 0.89 NPSR1 (0.39) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL28733678 0.89 NPSR1 (0.39) IMPDH2FLT1FLT4KDRNPSR1
SCHEMBL22925905 0.87 PPARD (0.41) IMPDH2NPSR1GSK3BTRPV1PPARD
SCHEMBL28733796 0.87 PPARD (0.41) IMPDH2NPSR1GSK3BTRPV1PPARD

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
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
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