SCHEMBL10233192

SCHEMBL10233192

COc1c(CO)cc(C(C)(C)C)cc1NO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
MAPT P10636 1/20 0.40
KLF10 Q13118 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
BCL2A1 Q16548 1/20 0.33
SRC P12931 3/20 0.33
SYK P43405 3/20 0.33
GSK3A P49840 3/20 0.33
SCARB1 Q8WTV0 1/20 0.32

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
SCHEMBL19047473 0.89 MAPK14 (0.43) MAPK14MAPTKLF10CYP2C19MEN1
SCHEMBL16106451 0.83 MAPK14 (0.50) MAPK14MAPTMEN1HTTKMT2A
SCHEMBL13458465 0.83 CYP2C19 (0.54) MAPK14MAPTCYP2C19MEN1HTT
SCHEMBL13458599 0.83 MAPK14 (0.34) MAPK14MAPTCYP2C19MEN1HTT
SCHEMBL27935808 0.81 MAPT (0.43) MAPK14MAPTKLF10CYP2C19PDE4A
SCHEMBL12929955 0.81 MAPT (0.43) MAPK14MAPTKLF10CYP2C19PDE4A
SCHEMBL15086934 0.80 MAPK14 (0.33) MAPK14MAPTCYP2C19MEN1HTT
SCHEMBL15086976 0.80 MAPK14 (0.44) MAPK14MEN1HTTKMT2ABCL2A1
SCHEMBL6407060 0.79 MAPT (0.42) MAPK14MAPTKLF10CYP2C19HTT
SCHEMBL15086935 0.78 MAPK14 (0.40) MAPK14MEN1HTTKMT2ABCL2A1

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 3 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
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 disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed