SCHEMBL3454805

SCHEMBL3454805

Cc1nc(CNC(=O)c2sc(-c3c(OCc4ccccc4)cc[nH]c3=O)nc2C)cs1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.45
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3454683 0.94 SCD (0.47) SCDNPC1HPGD
SCHEMBL3455858 0.90 SCD (0.54) SCDNPC1HPGD
SCHEMBL3455680 0.87 SCD (0.46) SCDNPC1HPGDMEN1KMT2A
SCHEMBL3454154 0.86 SCD (0.44) SCDNPC1HPGDPOLBMEN1
SCHEMBL3454857 0.86 SCD (0.44) SCDNPC1HPGDMEN1KMT2A
SCHEMBL3455556 0.86 SCD (0.46) SCDNPC1HPGDMEN1KMT2A
SCHEMBL3456448 0.86 SCD (0.51) SCD
SCHEMBL3455023 0.86 SCD (0.51) SCD
SCHEMBL3454462 0.85 SCD (0.51) SCDPOLB
SCHEMBL3454426 0.85 SCD (0.45) SCDNPC1HPGDMEN1KMT2A

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