SCHEMBL29286255

SCHEMBL29286255

C1=NN=NSc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41

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
SCHEMBL2141215 0.70 TRPA1 (0.33) TRPA1
SCHEMBL20145049 0.67 TRPA1 (0.39) TRPA1
SCHEMBL438969 0.67 TRPA1 (0.31) TRPA1
SCHEMBL25408003 0.65 TRPA1 (0.31) TRPA1
Hydrochloric Acid SCHEMBL10934502 0.65 TRPA1 (0.31) TRPA1
SCHEMBL207685 0.61 TRPA1 (0.31) TRPA1
SCHEMBL1079397 0.60 TRPA1 (0.42) TRPA1
SCHEMBL3650633 0.60 TRPA1 (0.33) TRPA1
SCHEMBL1449552 0.60 TRPA1 (0.42) TRPA1
SCHEMBL1449515 0.60 TRPA1 (0.33) TRPA1

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
CN-113677398-B Benzothiadiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed