SCHEMBL13671583

SCHEMBL13671583

CN1C(=O)c2cccc(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c2C1=O

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 12/20 0.83
▸ TRPV4 Q9HBA0 2/20 0.65
▸ PORCN Q9H237 1/20 0.55
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ELOVL1 Q9BW60 1/20 0.50

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 0.91 TRPA1 (0.83) TRPA1TRPV4PORCNKMT2AMEN1
SCHEMBL13671691 0.91 TRPA1 (1.00) TRPA1TRPV4PORCN
SCHEMBL13671107 0.89 TRPA1 (0.67) TRPA1TRPV4KMT2AMEN1RAB9A
SCHEMBL13671677 0.89 TRPA1 (0.66) TRPA1TRPV4KMT2AMEN1RAB9A
SCHEMBL13671690 0.88 TRPA1 (0.79) TRPA1TRPV4PORCNKMT2AMEN1
SCHEMBL13671333 0.85 TRPA1 (0.83) TRPA1TRPV4PORCNKMT2AMEN1
SCHEMBL13671351 0.85 TRPA1 (1.00) TRPA1TRPV4KMT2AMEN1RAB9A
SCHEMBL13671341 0.85 TRPA1 (1.00) TRPA1TRPV4PORCNKMT2AMEN1
SCHEMBL13671585 0.85 TRPA1 (0.62) TRPA1TRPV4KMT2AMEN1RAB9A
SCHEMBL13671584 0.83 TRPA1 (1.00) TRPA1TRPV4PORCNELOVL1

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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