SCHEMBL2002296

SCHEMBL2002296

O=C(c1nc(-c2ccncn2)no1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
PKM P14618 3/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMPD1 P17405 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
ABCB11 O95342 2/20 0.33
FAAH O00519 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
STAT3 P40763 1/20 0.31
S1PR3 Q99500 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL2002063 0.94 ALOX5 (0.33) MAPTKDM4ESMPD1ALOX5ALOX5AP
SCHEMBL4381974 0.93 ALOX5AP (0.38) MAPTPKMGAAKDM4ESMPD1
SCHEMBL2009497 0.92 FAAH (0.41) MAPTPKMKDM4ESMPD1ALDH1A1
SCHEMBL2007750 0.91 L3MBTL1 (0.34) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL2004491 0.90 LMNA (0.41) MAPTPKMKDM4ESMPD1ALDH1A1
SCHEMBL2006783 0.90 CNR2 (0.35) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2003479 0.90 MAPT (0.36) MAPTPKMGAAKDM4ESMPD1
SCHEMBL2001764 0.89 ALOX5AP (0.39) MAPTPKMSMPD1ALDH1A1ALOX5
SCHEMBL2002246 0.89 SMN1; SMN2 (0.39) MAPTPKMGAAKDM4ESMPD1
SCHEMBL2004892 0.87 LMNA (0.35) MAPTPKMGAAKDM4EALDH1A1

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