SCHEMBL2004203

SCHEMBL2004203

CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.45
PLA2G2A P14555 2/20 0.43
ALOX5 P09917 2/20 0.43
NTRK1 P04629 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2003159 0.92 ALOX5AP (0.46) ALOX5APPLA2G2AALOX5KDM4EALDH1A1
SCHEMBL1999556 0.92 PLA2G2A (0.49) ALOX5APPLA2G2AALDH1A1MAPK1CYP3A4
SCHEMBL2011328 0.92 LMNA (0.40) ALOX5APPLA2G2AKDM4EALDH1A1HPGD
SCHEMBL2002164 0.92 ALOX5AP (0.45) ALOX5APALOX5NTRK1KDM4EALDH1A1
SCHEMBL2007615 0.89 ALOX5AP (0.44) ALOX5APPLA2G2AALOX5CYP3A4CYP2C9
SCHEMBL2012906 0.89 MAPT (0.44) ALOX5APKDM4EALDH1A1RECQLHSD17B10
SCHEMBL2002167 0.89 ALOX5AP (0.43) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2003946 0.88 ALOX5AP (0.42) ALOX5APPLA2G2AALOX5KDM4EALDH1A1
SCHEMBL2003126 0.87 MEN1 (0.44) ALOX5APALOX5KDM4EALDH1A1HSD17B10
SCHEMBL2004791 0.86 MAPT (0.44) ALOX5APPLA2G2AKDM4EALDH1A1RECQL

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
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed