SCHEMBL3454876

SCHEMBL3454876

Cc1nc(-c2c(N)cc[nH]c2=O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.57
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
KLKB1 P03952 1/20 0.49
CHRM4 P08173 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3454995 0.89 SCD (0.58) SCDNPC1HPGD
SCHEMBL3455044 0.87 SCD (0.58) SCDNPC1HPGDSMN1; SMN2
SCHEMBL3454811 0.87 SCD (0.56) SCDNPC1HPGDALDH1A1GAA
SCHEMBL3455924 0.86 SCD (0.56) SCDNPC1HPGD
SCHEMBL3454229 0.86 SCD (0.55) SCDNPC1HPGD
SCHEMBL3454189 0.85 PPARA (0.55) SCDNPC1HPGD
SCHEMBL3455689 0.84 SCD (0.53) SCDNPC1HPGD
SCHEMBL3454779 0.84 SCD (0.53) SCDNPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL3454977 0.84 SCD (0.54) SCDNPC1HPGD
SCHEMBL3455858 0.84 SCD (0.54) SCDNPC1HPGD

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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed