SCHEMBL690315

SCHEMBL690315

CCOc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
SCARB1 Q8WTV0 3/20 0.42
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL690060 0.86 MAPK14 (0.53) MAPK14SCARB1
Hydrochloric Acid SCHEMBL689965 0.85 MAPK14 (0.52) MAPK14SCARB1
SCHEMBL689355 0.82 MAPK14 (0.41) MAPK14SCARB1
SCHEMBL5311588 0.77 MAPK14 (0.52) MAPK14SCARB1HSD17B10
SCHEMBL690109 0.76 SCARB1 (0.44) MAPK14SCARB1HSD17B10
SCHEMBL692913 0.74 MAPK14 (0.42) MAPK14SCARB1HSD17B10
SCHEMBL4729217 0.74 MAPK14 (0.57) MAPK14SCARB1
SCHEMBL4016327 0.74 MAPK14 (0.54) MAPK14SCARB1HSD17B10
SCHEMBL690241 0.73 MAPK14 (0.41) MAPK14SCARB1
SCHEMBL690277 0.72 MAPK14 (0.41) MAPK14SCARB1HSD17B10

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
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed