SCHEMBL2001297

SCHEMBL2001297

COc1ccc2c(c1)c(C(=O)c1noc(-c3ccccn3)n1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
GRM5 P41594 2/20 0.36
ACHE P22303 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX5AP P20292 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2006974 0.93 LMNA (0.38) MAPTGRM5ALOX5APSMN1; SMN2MEN1
SCHEMBL2004149 0.92 GRM5 (0.41) MAPTTP53GRM5NPC1PKM
SCHEMBL2002250 0.91 PLA2G2A (0.43) PLA2G2AMAPTACHEALOX5APPKM
SCHEMBL2000835 0.90 PLA2G2A (0.38) PLA2G2AMAPTTP53GRM5ACHE
SCHEMBL2002620 0.90 PLA2G2A (0.37) PLA2G2AMAPTTP53PTGDR2ALOX5AP
SCHEMBL2003537 0.90 GRM5 (0.38) MAPTGRM5PTGDR2NPC1SMN1; SMN2
SCHEMBL2007043 0.89 PLA2G2A (0.42) PLA2G2AMAPTTP53ALOX5APPKM
SCHEMBL2005836 0.89 L3MBTL1 (0.41) MAPTGRM5NPC1PKMRAB9A
SCHEMBL2005827 0.89 LMNA (0.43) MAPTTP53GRM5NPC1PKM
SCHEMBL2001691 0.88 NPC1 (0.41) PLA2G2AMAPTTP53GRM5PTGDR2

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