SCHEMBL3791508

SCHEMBL3791508

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cnnc2n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.69
TRPV4 Q9HBA0 7/20 0.69
MAPT P10636 1/20 0.62
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL3796445 0.92 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL3798786 0.89 TRPA1 (0.72) TRPA1TRPV4
SCHEMBL3797771 0.89 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL3802191 0.89 TRPA1 (0.60) TRPA1TRPV4MAPT
SCHEMBL3794988 0.89 TRPA1 (0.61) TRPA1TRPV4
SCHEMBL3797553 0.88 TRPA1 (0.73) TRPA1TRPV4
SCHEMBL3796551 0.86 TRPA1 (0.73) TRPA1TRPV4MAPTMEN1KMT2A
SCHEMBL1801559 0.84 TRPA1 (0.86) TRPA1TRPV4
SCHEMBL612021 0.84 TRPA1 (0.83) TRPA1TRPV4MAPTMEN1KMT2A
SCHEMBL3799501 0.84 TRPA1 (0.60) TRPA1TRPV4

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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed