SCHEMBL690277

SCHEMBL690277

COc1c(NS(C)(=O)=O)cc(C(F)(F)C(F)(F)F)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.41
SCARB1 Q8WTV0 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRB3 P13945 3/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL692913 0.90 MAPK14 (0.42) MAPK14SCARB1SMN1; SMN2KDM4EHSD17B10
SCHEMBL690060 0.86 MAPK14 (0.53) MAPK14SCARB1
Hydrochloric Acid SCHEMBL689965 0.85 MAPK14 (0.52) MAPK14SCARB1
SCHEMBL1935707 0.82 MAPK14 (0.39) MAPK14SCARB1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5311588 0.77 MAPK14 (0.52) MAPK14SCARB1SMN1; SMN2KDM4EHSD17B10
SCHEMBL689060 0.75 ADRB3 (0.39) MAPK14SCARB1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4016327 0.74 MAPK14 (0.54) MAPK14SCARB1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4729217 0.74 MAPK14 (0.57) MAPK14SCARB1
SCHEMBL690241 0.73 MAPK14 (0.41) MAPK14SCARB1ALDH1A1EPHX2NR1H4
SCHEMBL689520 0.72 ADRB3 (0.38) MAPK14SMN1; SMN2KDM4EHSD17B10KMT2A

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