SCHEMBL1850153

SCHEMBL1850153

COc1c(NC(=O)O)cc(C(C)(C)C)cc1NC(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK14 Q16539 3/20 0.41
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL690703 0.83 KDM4E (0.46) KDM4ETSHRALDH1A1MAPK14HSD17B10
SCHEMBL17652970 0.78 HTT (0.41) KDM4ETSHRALDH1A1MAPK14RECQL
SCHEMBL1846611 0.77 MAPK14 (0.63) MAPK14
SCHEMBL16106451 0.75 MAPK14 (0.50) ALDH1A1MAPK14SMN1; SMN2HTT
SCHEMBL16106403 0.75 GSK3A (0.43) KDM4EALDH1A1MAPK14SMN1; SMN2HTT
SCHEMBL16829462 0.75 MAPK14 (0.39) KDM4ETSHRALDH1A1MAPK14SMN1; SMN2
SCHEMBL16829205 0.75 MAPK14 (0.47) ALDH1A1MAPK14SMN1; SMN2
SCHEMBL17669672 0.75 MAPK14 (0.49) KDM4EALDH1A1MAPK14HSD17B10
SCHEMBL16829286 0.74 GSK3A (0.48) MAPK14
SCHEMBL1847413 0.74 MAPK14 (0.39) TSHRALDH1A1MAPK14SMN1; SMN2HTT

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-2323980-A1 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 International GmbH (DE) 2011-05-25 EP claimed
WO-2010026096-A1 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 INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed