SCHEMBL2004890

SCHEMBL2004890

O=C(c1ncc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
MAPT P10636 5/20 0.34
PKM P14618 3/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL2003811 0.94 FAAH (0.41) FAAHMAPTKDM4EALDH1A1ALOX5
SCHEMBL2006615 0.91 FAAH (0.42) FAAHMAPTKDM4EALDH1A1ALOX5
SCHEMBL2009971 0.90 L3MBTL1 (0.37) FAAHMAPTALDH1A1LMNAALOX12
SCHEMBL2012375 0.89 FAAH (0.37) FAAHMAPTPKMGAAKDM4E
SCHEMBL1999493 0.89 FAAH (0.43) FAAH
SCHEMBL1999528 0.89 ALOX5 (0.37) FAAHMAPTPKMGAAKDM4E
SCHEMBL2000979 0.89 FAAH (0.45) FAAHMAPTKDM4EALDH1A1LMNA
SCHEMBL2002842 0.88 MEN1 (0.43) FAAHMAPTPKMALDH1A1ALOX5
SCHEMBL2006366 0.88 ALOX5AP (0.40) FAAHMAPTPKMKDM4EALDH1A1
SCHEMBL2007820 0.86 LMNA (0.37) FAAHMAPTPKMGAAKDM4E

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