SCHEMBL3454303

SCHEMBL3454303

Cc1nc(-c2c[nH]c(=O)c(C)n2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.61
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3454783 0.81 SCD (0.56) SCDHPGDNPC1
SCHEMBL3455677 0.80 SCD (0.60) SCDHPGDNPC1
SCHEMBL3454540 0.79 SCD (0.57) SCD
SCHEMBL3454098 0.79 SCD (0.58) SCDHPGDNPC1
SCHEMBL3454995 0.79 SCD (0.58) SCDHPGDNPC1
SCHEMBL3455616 0.78 SCD (0.57) SCDHPGDNPC1
SCHEMBL3454876 0.78 SCD (0.57) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL3455044 0.77 SCD (0.58) SCDHPGDNPC1SMN1; SMN2
SCHEMBL3454811 0.77 SCD (0.56) SCDHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL12464767 0.77 HPGD (0.67) SCDHPGDNPC1SMN1; SMN2ALDH1A1

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