SCHEMBL2448893

SCHEMBL2448893

CC(C)CCOc1c(F)cc(-c2csc(NC(=O)Cn3c(=O)n(C)c4c3c(=O)n(C)c(=O)n4C)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.55
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2442968 0.92 TRPA1 (0.65) TRPA1MAPTSMN1; SMN2
SCHEMBL2448313 0.91 TRPA1 (0.60) TRPA1MAPTSMN1; SMN2
SCHEMBL2449066 0.87 TRPA1 (0.66) TRPA1MAPT
SCHEMBL2444338 0.87 TRPA1 (0.64) TRPA1MAPTSMN1; SMN2
SCHEMBL612953 0.87 TRPA1 (0.65) TRPA1MAPT
SCHEMBL2445785 0.87 TRPA1 (0.59) TRPA1MAPTSMN1; SMN2
SCHEMBL610490 0.86 TRPA1 (0.69) TRPA1MAPT
SCHEMBL2445568 0.86 TRPA1 (0.58) TRPA1MAPTSMN1; SMN2
SCHEMBL2445806 0.86 MAPT (0.53) TRPA1MAPTSMN1; SMN2
SCHEMBL2450775 0.86 TRPA1 (0.59) TRPA1MAPTSMN1; SMN2

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-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed