SCHEMBL688392

SCHEMBL688392

COc1c(CS(C)(=O)=O)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
SRC P12931 2/20 0.38
SYK P43405 2/20 0.38
GSK3A P49840 1/20 0.37
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
SCARB1 Q8WTV0 2/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32
IKBKB O14920 1/20 0.32
HTR2A P28223 1/20 0.32
ELANE P08246 1/20 0.31
CD69 Q07108 1/20 0.31
BCL2A1 Q16548 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL689665 0.83 MAPT (0.41) MAPK14SRCSYKGSK3ARARG
SCHEMBL690781 0.81 MAPK14 (0.38) MAPK14SRCSYKGSK3AMEN1
SCHEMBL690623 0.81 RARG (0.41) GSK3ARARGRXRAPPARGMEN1
SCHEMBL690432 0.80 ALDH1A1 (0.36) MAPK14GSK3ARARGRXRAPPARG
SCHEMBL15743701 0.80 MAPK14 (0.37) MAPK14SRCSYKGSK3AALDH1A1
SCHEMBL5110866 0.80 CYP2C19 (0.50) RARGRXRAPPARGMEN1ALDH1A1
SCHEMBL5117060 0.80 MEN1 (0.37) RARGRXRAPPARGMEN1ALDH1A1
SCHEMBL1404705 0.78 RARG (0.38) GSK3ARARGRXRAPPARGMEN1
SCHEMBL15086976 0.78 MAPK14 (0.44) MAPK14SRCSYKGSK3ASCARB1
SCHEMBL689738 0.77 PKM (0.41) RARGRXRAPPARGMEN1ALDH1A1

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