SCHEMBL3456450

SCHEMBL3456450

Cc1nc(-c2cc3cc(O)ccc3[nH]c2=O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.55
SRC P12931 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL3454850 0.88 SCD (0.56) SCDHPGDPPARDPPARA
SCHEMBL12464767 0.78 HPGD (0.67) SCDNPC1HPGDPPARDPPARA
SCHEMBL3454783 0.78 SCD (0.56) SCDNPC1HPGDPPARDPPARA
SCHEMBL3454098 0.77 SCD (0.58) SCDNPC1HPGDPPARDPPARA
SCHEMBL3455677 0.77 SCD (0.60) SCDNPC1HPGDPPARDPPARA
SCHEMBL3455616 0.77 SCD (0.57) SCDNPC1HPGDPPARDPPARA
SCHEMBL12464771 0.77 HPGD (0.65) SCDNPC1HPGDPPARA
SCHEMBL3454540 0.76 SCD (0.57) SCDPPARDPPARA
SCHEMBL3454804 0.74 SCD (0.56) SCDNPC1HPGDPPARDPPARA
SCHEMBL3455389 0.74 SCD (0.53) SCDNPC1HPGDPPARDPPARA

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