SCHEMBL5034669

SCHEMBL5034669

Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cnc2cc(CO)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.42
TRPV1 Q8NER1 7/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 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
SCHEMBL5034665 1.00 KDR (0.42) KDRTRPV1MEN1GAACASP1
SCHEMBL3586822 0.90 TRPV1 (0.39) KDRTRPV1MEN1KMT2ANPC1
SCHEMBL3586815 0.90 TRPV1 (0.39) KDRTRPV1MEN1KMT2ANPC1
SCHEMBL3590891 0.89 TRPV1 (0.43) KDRTRPV1NPC1RAB9A
SCHEMBL3590895 0.89 TRPV1 (0.43) KDRTRPV1NPC1RAB9A
SCHEMBL3592868 0.85 KDR (0.56) KDRTRPV1MEN1GAACASP1
SCHEMBL3592870 0.85 KDR (0.56) KDRTRPV1MEN1GAACASP1
SCHEMBL13544332 0.84 KDR (0.38) KDRTRPV1MEN1KMT2ANPC1
SCHEMBL5037419 0.84 MCHR1 (0.41) KDRTRPV1NPC1RAB9A
SCHEMBL5037416 0.84 MCHR1 (0.41) KDRTRPV1NPC1RAB9A

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-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO claimed