SCHEMBL29696291

SCHEMBL29696291

COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)c(F)c4)o3)cnc2C(N)=NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.39
▸ VCP P55072 2/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ FLT1 P17948 6/20 0.38
▸ FLT4 P35916 6/20 0.38
▸ KDR P35968 6/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ CLK1 P49759 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ AR P10275 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ C5AR1 P21730 1/20 0.33

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
SCHEMBL22925796 1.00 IMPDH2 (0.39) IMPDH2VCPCYP11B1CYP11B2FLT1
SCHEMBL29696304 0.89 IMPDH2 (0.43) IMPDH2VCPFLT1FLT4KDR
SCHEMBL22926080 0.89 IMPDH2 (0.43) IMPDH2VCPFLT1FLT4KDR
SCHEMBL22925794 0.84 IMPDH2 (0.41) IMPDH2VCPCYP11B1CYP11B2FLT1
SCHEMBL29696282 0.84 IMPDH2 (0.41) IMPDH2VCPCYP11B1CYP11B2FLT1
SCHEMBL22925756 0.83 NPSR1 (0.43) IMPDH2VCPFLT1FLT4KDR
SCHEMBL29696317 0.83 NPSR1 (0.43) IMPDH2VCPFLT1FLT4KDR
SCHEMBL22925782 0.81 ALOX5 (0.42) VCPFLT1FLT4KDRNPSR1
SCHEMBL29696295 0.81 ALOX5 (0.42) VCPFLT1FLT4KDRNPSR1
SCHEMBL22926050 0.79 NPSR1 (0.39) IMPDH2VCPFLT1FLT4KDR

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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