SCHEMBL3454154

SCHEMBL3454154

Cc1ccsc1CNC(=O)c1sc(-c2c(OCc3ccccc3)cc[nH]c2=O)nc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.44
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
KLKB1 P03952 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3455858 0.90 SCD (0.54) SCDNPC1HPGD
SCHEMBL3454857 0.89 SCD (0.44) SCDNPC1HPGDKLKB1MEN1
SCHEMBL3456448 0.87 SCD (0.51) SCDMAPT
SCHEMBL3455023 0.87 SCD (0.51) SCDMAPT
SCHEMBL3454805 0.86 SCD (0.45) SCDNPC1HPGDPOLBMEN1
SCHEMBL3455556 0.85 SCD (0.46) SCDNPC1HPGDMEN1KMT2A
SCHEMBL3455680 0.85 SCD (0.46) SCDNPC1HPGDKLKB1MEN1
SCHEMBL3454462 0.84 SCD (0.51) SCDPOLB
SCHEMBL3454426 0.84 SCD (0.45) SCDNPC1HPGDKLKB1MEN1
SCHEMBL3454226 0.83 PPARA (0.53) SCDNPC1ALDH1A1GAA

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