SCHEMBL3454598

SCHEMBL3454598

Cc1nc(-c2c(O)cc[nH]c2=O)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.56
PPARA Q07869 5/20 0.53
CHRM4 P08173 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PPARD Q03181 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3455448 0.90 SCD (0.58) SCDPPARAMAPT
SCHEMBL3454995 0.90 SCD (0.58) SCD
SCHEMBL3454999 0.89 SCD (0.59) SCDPPARACHRM4PPARD
SCHEMBL3454983 0.89 SCD (0.48) SCDPPARACHRM4PPARD
SCHEMBL3455532 0.89 SCD (0.60) SCDCHRM4
SCHEMBL3455023 0.83 SCD (0.51) SCDPPARAPPARDMAPT
SCHEMBL3456448 0.83 SCD (0.51) SCDPPARAPPARDMAPT
SCHEMBL3454343 0.83 PPARA (0.54) SCDPPARACHRM4PPARD
SCHEMBL3454545 0.81 SCD (0.49) SCDPPARAPPARD
SCHEMBL3455543 0.80 SCD (0.51) SCDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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