SCHEMBL13671691

SCHEMBL13671691

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 14/20 1.00
▸ PORCN Q9H237 1/20 0.55
▸ TRPV4 Q9HBA0 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ RORC P51449 1/20 0.52

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
SCHEMBL13671333 0.91 TRPA1 (0.83) TRPA1PORCNTRPV4RORC
SCHEMBL13671583 0.91 TRPA1 (0.83) TRPA1PORCNTRPV4
SCHEMBL13671336 0.91 TRPA1 (0.83) TRPA1PORCNTRPV4
SCHEMBL13671341 0.88 TRPA1 (1.00) TRPA1PORCNTRPV4
SCHEMBL13671690 0.88 TRPA1 (0.79) TRPA1PORCNTRPV4
SCHEMBL13671351 0.83 TRPA1 (1.00) TRPA1TRPV4
SCHEMBL13671584 0.83 TRPA1 (1.00) TRPA1PORCNTRPV4
SCHEMBL13671398 0.82 TRPA1 (0.70) TRPA1PORCNMAPTRORC
SCHEMBL13671680 0.81 TRPA1 (0.78) TRPA1PORCNTRPV4
SCHEMBL13671692 0.81 TRPA1 (0.68) TRPA1PORCNMAPT

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
Send feedback