SCHEMBL9821093

SCHEMBL9821093

c1ccc(N(c2ccccc2)c2cccc3c2[N]c2ccccc2S3)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
BACE1 P56817 1/20 0.33

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
SCHEMBL5600121 0.71 DRD2 (0.38) TRPA1BACE1
SCHEMBL16787070 0.70 ALOX5 (0.38)
SCHEMBL5600601 0.70 TRPA1 (0.40) TRPA1BACE1
SCHEMBL24828 0.70 TRPA1 (0.54) TRPA1BACE1
SCHEMBL5602226 0.68 TRPA1 (0.35) TRPA1BACE1
SCHEMBL5602865 0.68 HTR2A (0.36) TRPA1BACE1
SCHEMBL17485915 0.66 APP (0.35)
SCHEMBL29673955 0.65 ALDH1A1 (0.50)
Benzene SCHEMBL28236695 0.65 ALDH1A1 (0.50)
SCHEMBL329168 0.65 ALDH1A1 (0.50)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275449-B1 RUBBER COMPOSITIONS CONTAINING AMINE DERIVATIVES OF 1,3,4,-THIADIAZOLE R.T. VANDERBILT COMPANY, INC. (US) 1991-03-13 EP claimed
EP-0275449-A1 Rubber compositions containing amine derivatives of 1,3,4,-thiadiazole R.T. VANDERBILT COMPANY, INC. (US) 1988-07-27 EP claimed
EP-0275449-B1 RUBBER COMPOSITIONS CONTAINING AMINE DERIVATIVES OF 1,3,4,-THIADIAZOLE R.T. VANDERBILT COMPANY, INC. (US) 1991-03-13 EP disclosed
EP-0275449-A1 Rubber compositions containing amine derivatives of 1,3,4,-thiadiazole R.T. VANDERBILT COMPANY, INC. (US) 1988-07-27 EP disclosed