SCHEMBL2004677

SCHEMBL2004677

O=C(c1nnc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
PKM P14618 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 6/20 0.39
CES1 P23141 5/20 0.39
NCEH1 Q6PIU2 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
S1PR3 Q99500 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX5AP P20292 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
SCHEMBL2009777 0.94 FAAH (0.41) MAPTALDH1A1FAAHCES1NCEH1
SCHEMBL2002957 0.90 FAAH (0.44) MAPTPKMGAAALDH1A1FAAH
SCHEMBL1997685 0.90 FAAH (0.42) MAPTALDH1A1FAAHCES1NCEH1
SCHEMBL2005259 0.90 L3MBTL1 (0.41) MAPTPKMGAAALDH1A1FAAH
SCHEMBL2002177 0.89 MAPT (0.38) MAPTPKMGAAALDH1A1FAAH
SCHEMBL2006833 0.89 PLA2G2A (0.44) MAPTPKMALDH1A1LMNAMEN1
SCHEMBL2007820 0.89 LMNA (0.37) MAPTPKMGAAALDH1A1FAAH
SCHEMBL1999222 0.88 MAPT (0.40) MAPTPKMGAAALDH1A1S1PR3
SCHEMBL2008229 0.88 ALOX5AP (0.40) MAPTPKMALDH1A1LMNAMEN1
SCHEMBL2004278 0.87 MAPT (0.45) MAPTPKMGAAALDH1A1NPC1

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