SCHEMBL3454683

SCHEMBL3454683

Cc1nc(COc2cc[nH]c(=O)c2-c2nc(C)c(C(=O)NCc3ccccc3)s2)cs1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.47
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3454805 0.94 SCD (0.45) SCDNPC1HPGD
SCHEMBL3468879 0.91 SCD (0.46) SCDNPC1
SCHEMBL3455858 0.90 SCD (0.54) SCDNPC1HPGD
SCHEMBL3454793 0.89 SCD (0.58) SCDNPC1HPGD
SCHEMBL3454214 0.88 SCD (0.49) SCD
SCHEMBL3454257 0.86 SCD (0.50) SCD
SCHEMBL3456448 0.85 SCD (0.51) SCD
SCHEMBL3455023 0.85 SCD (0.51) SCD
SCHEMBL3454978 0.84 SCD (0.50) SCD
SCHEMBL3454229 0.84 SCD (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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