SCHEMBL2010143

SCHEMBL2010143

Cc1ccc2c(c1)c(C(=O)c1cnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 10/20 0.42
PTGES O14684 4/20 0.42
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 1/20 0.40
TBXAS1 P24557 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL2003741 0.93 MAPT (0.41) PTGES2PTGESMEN1KMT2AALOX5AP
SCHEMBL2010313 0.92 FAAH (0.42) PTGES2FAAHMEN1HTTKMT2A
SCHEMBL2002629 0.92 PPARG (0.39) PTGES2PTGESFAAHMEN1HTT
SCHEMBL2007848 0.92 PTGES2 (0.45) PTGES2PTGESFAAHMEN1HTT
SCHEMBL2005862 0.90 MAPT (0.41) PTGES2PTGESMEN1KMT2AALOX5AP
SCHEMBL2001619 0.90 PTGES2 (0.41) PTGES2PTGESMEN1KMT2AKDM4E
SCHEMBL2006387 0.89 FAAH (0.41) PTGES2PTGESFAAHMEN1HTT
SCHEMBL2003930 0.89 PLA2G2A (0.46) MEN1KMT2AALOX5APALDH1A1
SCHEMBL2007615 0.88 ALOX5AP (0.44) ALOX5AP
SCHEMBL2003126 0.88 MEN1 (0.44) PTGES2PTGESFAAHMEN1HTT

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