SCHEMBL690241

SCHEMBL690241

COc1c(NS(=O)(=O)C2CC2)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
SCARB1 Q8WTV0 5/20 0.38
PIK3CA P42336 2/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LYN P07948 1/20 0.35
MAPK9 P45984 1/20 0.35
MRGPRX1 Q96LB2 2/20 0.35

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
SCHEMBL13458789 0.85 MAPK14 (0.46) MAPK14SCARB1EPHX2NR1H4LYN
SCHEMBL2670913 0.83 MAPK14 (0.40) MAPK14SCARB1PIK3CAEPHX2NR1H4
SCHEMBL19047543 0.81 MAPK14 (0.42) MAPK14SCARB1PIK3CAEPHX2NR1H4
SCHEMBL690109 0.79 SCARB1 (0.44) MAPK14SCARB1ALDH1A1
SCHEMBL19047542 0.78 MAPK14 (0.38) MAPK14SCARB1PIK3CAEPHX2NR1H4
SCHEMBL690703 0.78 KDM4E (0.46) MAPK14ALDH1A1
SCHEMBL5311588 0.78 MAPK14 (0.52) MAPK14SCARB1
SCHEMBL16106349 0.77 GSK3A (0.38) MAPK14SCARB1PIK3CALYNMAPK9

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