SCHEMBL690109

SCHEMBL690109

CCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(C(N)=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 3/20 0.44
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 5/20 0.39
SRC P12931 1/20 0.35
SYK P43405 1/20 0.35
GSK3A P49840 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KCNK3 O14649 1/20 0.34
BRAF P15056 1/20 0.34

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 0.84 MAPK14 (0.53) SCARB1MAPK14BRAF
Hydrochloric Acid SCHEMBL689965 0.83 MAPK14 (0.52) SCARB1MAPK14BRAF
SCHEMBL721145 0.79 LMNA (0.44) SCARB1ALDH1A1MAPK14SRCSYK
SCHEMBL689916 0.79 ALDH1A1 (0.44) SCARB1ALDH1A1MAPK14SRCSYK
SCHEMBL690241 0.79 MAPK14 (0.41) SCARB1ALDH1A1MAPK14
SCHEMBL690623 0.76 RARG (0.41) ALDH1A1GSK3AKDM4EGAAMAPT
SCHEMBL692574 0.76 GSK3A (0.41) SCARB1ALDH1A1MAPK14SRCSYK
SCHEMBL16106403 0.76 GSK3A (0.43) SCARB1ALDH1A1MAPK14SRCSYK
SCHEMBL690315 0.76 MAPK14 (0.43) SCARB1HSD17B10MAPK14
SCHEMBL22705390 0.75 MAPK14 (0.46) SCARB1ALDH1A1HSD17B10MAPK14KDM4E

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