SCHEMBL13671690

SCHEMBL13671690

CN1C(=O)c2cccc(CC(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2C1=O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 12/20 0.79
▸ PORCN Q9H237 1/20 0.53
▸ TRPV4 Q9HBA0 2/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ELOVL1 Q9BW60 1/20 0.48

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
SCHEMBL13671336 0.88 TRPA1 (0.83) TRPA1PORCNTRPV4MEN1RAB9A
SCHEMBL13671583 0.88 TRPA1 (0.83) TRPA1PORCNTRPV4MEN1RAB9A
SCHEMBL13671691 0.88 TRPA1 (1.00) TRPA1PORCNTRPV4
SCHEMBL13671333 0.83 TRPA1 (0.83) TRPA1PORCNTRPV4MEN1RAB9A
SCHEMBL13671341 0.82 TRPA1 (1.00) TRPA1PORCNTRPV4MEN1KMT2A
SCHEMBL13671351 0.81 TRPA1 (1.00) TRPA1TRPV4MEN1RAB9AKMT2A
SCHEMBL13671584 0.81 TRPA1 (1.00) TRPA1PORCNTRPV4ELOVL1
SCHEMBL13671677 0.79 TRPA1 (0.66) TRPA1TRPV4MEN1RAB9AKMT2A
SCHEMBL13671680 0.79 TRPA1 (0.78) TRPA1PORCNTRPV4
SCHEMBL13671397 0.78 TRPA1 (0.77) TRPA1PORCNTRPV4MEN1RAB9A

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-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 — — WO disclosed
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