SCHEMBL13458591

SCHEMBL13458591

COc1c(NO)cc(C(C)(C)C)cc1[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.35
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL690695 0.87 MAPK14 (0.31) MAPK14
SCHEMBL1847413 0.84 MAPK14 (0.39) MAPK14TP53MAPTSMN1; SMN2
SCHEMBL15743695 0.80 POLB (0.36) GABRA1GABRB2
SCHEMBL15086934 0.79 MAPK14 (0.33) MAPK14TP53MAPTSMN1; SMN2
SCHEMBL689550 0.77 POLB (0.34) MAPT
SCHEMBL28756085 0.76 ALDH1A1 (0.43) MAPK14MAPTSMN1; SMN2
SCHEMBL29639434 0.76 ALDH1A1 (0.43) MAPK14MAPTSMN1; SMN2
SCHEMBL10233040 0.75 MAPT (0.39) MAPK14TP53MAPTSMN1; SMN2GABRA1
SCHEMBL15086981 0.74 KDM4E (0.41) MAPK14TP53MAPTSMN1; SMN2
SCHEMBL10233191 0.72 MAPK14 (0.35) MAPK14TP53MAPTSMN1; SMN2GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed