SCHEMBL13075864

SCHEMBL13075864

Cn1c(=O)[nH]c2ncnc(CC(=O)Nc3nc(-c4ccc(I)cc4)cs3)c2c1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 18/20 0.59
▸ TRPV4 Q9HBA0 5/20 0.48
▸ WNT3A P56704 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL13075868 0.84 TRPA1 (0.63) TRPA1TRPV4
SCHEMBL13075853 0.80 TRPA1 (0.54) TRPA1TRPV4
SCHEMBL13076876 0.76 WNT3A (0.56) TRPA1TRPV4WNT3AKMT2A
SCHEMBL3806430 0.75 TRPA1 (0.68) TRPA1TRPV4
SCHEMBL1800086 0.74 TRPA1 (1.00) TRPA1TRPV4
SCHEMBL13076331 0.73 TRPA1 (0.67) TRPA1TRPV4
SCHEMBL13076323 0.73 TRPA1 (0.56) TRPA1TRPV4KMT2A
SCHEMBL13076680 0.73 TRPA1 (0.67) TRPA1TRPV4
SCHEMBL13076890 0.73 TRPA1 (0.62) TRPA1TRPV4
SCHEMBL13175031 0.73 TRPA1 (0.59) 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
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