SCHEMBL2004892

SCHEMBL2004892

O=C(c1nnc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
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 1/20 0.34
ALOX5AP P20292 2/20 0.34
ALOX5 P09917 1/20 0.34
FAAH O00519 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR3 Q99500 3/20 0.32
PTGES O14684 1/20 0.32
ABCB11 O95342 2/20 0.32
PTGES2 Q9H7Z7 2/20 0.31
MEN1 O00255 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
SCHEMBL2001856 0.94 LMNA (0.36) LMNAMAPK1MAPTKDM4EALDH1A1
SCHEMBL2005294 0.91 FAAH (0.41) LMNAMAPK1MAPTPKMKDM4E
SCHEMBL2002081 0.91 L3MBTL1 (0.35) LMNAMAPK1MAPTALDH1A1PDE4B
SCHEMBL2007916 0.90 LMNA (0.41) LMNAMAPK1MAPTPKMKDM4E
SCHEMBL2002177 0.90 MAPT (0.38) LMNAMAPTPKMGAAKDM4E
SCHEMBL2002147 0.90 ALDH1A1 (0.37) LMNAMAPK1MAPTKDM4EALDH1A1
SCHEMBL2007820 0.89 LMNA (0.37) LMNAMAPK1MAPTPKMGAA
SCHEMBL2005117 0.89 ALOX5AP (0.36) LMNAMAPTPKMGAAKDM4E
SCHEMBL2003878 0.89 ALOX5AP (0.39) LMNAMAPK1MAPTPKMALDH1A1
SCHEMBL2000262 0.89 MAPK1 (0.48) LMNAMAPK1MAPTPKMGAA

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