SCHEMBL2007905

SCHEMBL2007905

Cc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX12 P18054 2/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
PTGS1 P23219 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32

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
SCHEMBL2006959 0.94 MAPT (0.36) MAPTLMNAALDH1A1ALOX12TP53
SCHEMBL2009855 0.92 FAAH (0.43) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2005712 0.91 L3MBTL1 (0.37) MEN1HTTKMT2AMAPTLMNA
SCHEMBL2010615 0.90 LMNA (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2001446 0.90 FAAH (0.35) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2008751 0.90 MAPT (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2008873 0.90 LMNA (0.38) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2012281 0.90 FAAH (0.38) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2005115 0.89 ALOX5AP (0.37) MAPTLMNAALDH1A1ALOX12SMN1; SMN2
SCHEMBL2002612 0.87 FAAH (0.35) FAAHMEN1HTTKMT2AMAPT

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