SCHEMBL2006918

SCHEMBL2006918

Cc1ccc2c(c1)c(C(=O)c1noc(-c3ccccn3)n1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
CES1 P23141 1/20 0.40
MCL1 Q07820 1/20 0.38
MAPT P10636 2/20 0.37
CTSD P07339 1/20 0.36
GUSB P08236 1/20 0.36
ALOX5AP P20292 3/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL2007957 0.93 FAAH (0.42) FAAHMEN1KMT2ACES1MAPT
SCHEMBL2003537 0.91 GRM5 (0.38) FAAHMEN1KMT2AHTTCES1
SCHEMBL2002817 0.91 FAAH (0.40) FAAHMEN1KMT2ACES1MAPT
SCHEMBL2006169 0.89 FAAH (0.43) FAAHMEN1KMT2ACES1MCL1
SCHEMBL2002250 0.89 PLA2G2A (0.43) FAAHMEN1KMT2AMAPTALOX5AP
SCHEMBL2002486 0.89 FAAH (0.43) FAAHMEN1KMT2AHTTMAPT
SCHEMBL2003080 0.89 ALOX5AP (0.41) FAAHKMT2ACES1MAPTALOX5AP
SCHEMBL2003586 0.88 KMT2A (0.42) FAAHMEN1KMT2AHTTMAPT
SCHEMBL1999092 0.88 L3MBTL1 (0.42) FAAHMEN1KMT2AHTTCES1
SCHEMBL2002667 0.85 MEN1 (0.42) FAAHMEN1KMT2AHTTMAPT

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