SCHEMBL2003084

SCHEMBL2003084

O=C(c1noc(-c2ccncn2)n1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 5/20 0.34
PKM P14618 3/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
FAAH O00519 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
LMNA P02545 3/20 0.33
S1PR3 Q99500 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL2007854 0.94 FAAH (0.35) MEN1KMT2AMAPTALDH1A1FAAH
SCHEMBL2006939 0.91 L3MBTL1 (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2002486 0.91 FAAH (0.43) MEN1KMT2AMAPTFAAHALOX5
SCHEMBL2007961 0.90 STAT3 (0.34) MEN1KMT2AMAPTPKMGAA
SCHEMBL2002817 0.89 FAAH (0.40) MEN1KMT2AMAPTPKMGAA
SCHEMBL2002985 0.89 MAPK14 (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2006102 0.89 KMT2A (0.43) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL2011061 0.88 ALOX5AP (0.39) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL1997410 0.88 MAPT (0.36) MEN1KMT2AMAPTPKMGAA
SCHEMBL2008249 0.85 LMNA (0.34) MEN1KMT2AMAPTKDM4EALDH1A1

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