SCHEMBL29696276

SCHEMBL29696276

COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cc2C(=N)NO)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.42
▸ FLT1 P17948 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ KIT P10721 1/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ VCP P55072 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ PPARD Q03181 2/20 0.35

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
SCHEMBL31755987 0.89 TRPV1 (0.39) TRPV1FLT1FLT4KDRKIT
SCHEMBL22925705 0.86 FLT1 (0.46) TRPV1FLT1FLT4KDRKIT
SCHEMBL28733676 0.86 TRPV1 (0.41) TRPV1FLT1FLT4KDRKIT
SCHEMBL22925873 0.83 IMPDH2 (0.45) TRPV1FLT1FLT4KDRKIT
SCHEMBL22925800 0.79 TRPV1 (0.51) TRPV1FLT1KDRKITVCP
SCHEMBL29621081 0.77 GSK3B (0.41) TRPV1FLT1FLT4KDRKIT
SCHEMBL22926054 0.77 GSK3B (0.41) TRPV1FLT1FLT4KDRKIT
SCHEMBL22925774 0.76 TRPV1 (0.48) TRPV1FLT1FLT4KDRIMPDH2
SCHEMBL22926050 0.76 NPSR1 (0.39) TRPV1FLT1FLT4KDRKIT
SCHEMBL29620970 0.76 NPSR1 (0.39) TRPV1FLT1FLT4KDRKIT

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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