SCHEMBL4967362

SCHEMBL4967362

O=[N+]([O-])c1ccc(NCCc2ccccc2)nc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 2/20 0.74
MAPT P10636 7/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 3/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
GAA P10253 2/20 0.56
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
PKM P14618 2/20 0.53
HTT P42858 1/20 0.52

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
SCHEMBL5649144 0.85 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL6496190 0.82 CYP1A2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL6656407 0.80 MAPT (0.69) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL30014816 0.79 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL6162165 0.79 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL5100760 0.79 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL7363076 0.79 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL1146057 0.79 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL5650522 0.79 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL4389868 0.78 SMN1; SMN2 (0.59) SMN1; SMN2POLBMAPTKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed