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Sugi Predict / Compounds / SCHEMBL2448313

SCHEMBL2448313

SCHEMBL2448313

CC(C)CCOc1c(Cl)cc(-c2csc(NC(=O)Cn3c(=O)n(C)c4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 16/20 0.60
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 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
SCHEMBL2445476 0.92 TRPA1 (0.64) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2440265 0.91 TRPA1 (0.62) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2448893 0.91 TRPA1 (0.55) TRPA1MAPTSMN1; SMN2
SCHEMBL2451084 0.90 TRPA1 (0.61) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2447049 0.89 TRPA1 (0.63) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2446197 0.89 TRPA1 (0.58) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2445031 0.87 TRPA1 (0.76) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2445785 0.87 TRPA1 (0.59) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2445568 0.86 TRPA1 (0.58) TRPA1MAPTSMN1; SMN2LMNA
SCHEMBL2439039 0.86 TRPA1 (0.59) TRPA1MAPTSMN1; SMN2LMNA

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