SCHEMBL2008374

SCHEMBL2008374

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
ALOX5 P09917 1/20 0.42
PLA2G2A P14555 2/20 0.41
SLC26A4 O43511 1/20 0.40
KMT2A Q03164 1/20 0.40
NTRK1 P04629 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2006132 0.92 ALOX5AP (0.43) ALOX5APALOX5SLC26A4KMT2ANTRK1
SCHEMBL2003596 0.92 PLA2G2A (0.48) ALOX5APPLA2G2AKMT2AALDH1A1MAPK1
SCHEMBL2005691 0.92 ALOX5AP (0.43) ALOX5APALOX5KMT2ANTRK1PTGS1
SCHEMBL2003998 0.90 SLC26A4 (0.40) ALOX5APSLC26A4NTRK1KDM4EALDH1A1
SCHEMBL2000328 0.90 ALOX5AP (0.43) ALOX5APALOX5PLA2G2ANTRK1PTGS1
SCHEMBL2005326 0.89 MEN1 (0.43) ALOX5APKMT2AKDM4EALDH1A1RECQL
SCHEMBL2000884 0.89 FAAH (0.44)
SCHEMBL2001701 0.88 MEN1 (0.42) ALOX5APALOX5KMT2A
SCHEMBL2004508 0.87 MAPT (0.42) ALOX5APPLA2G2AKMT2AKDM4EALDH1A1
SCHEMBL2003946 0.86 ALOX5AP (0.42) ALOX5APALOX5PLA2G2AKMT2AKDM4E

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