SCHEMBL3454273

SCHEMBL3454273

Cc1nc(-c2c(OCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.50
CHRM4 P08173 1/20 0.45
SENP5 Q96HI0 1/20 0.42
SENP2 Q9HC62 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL3455023 0.91 SCD (0.51) SCDPPARAPPARD
SCHEMBL3456448 0.91 SCD (0.51) SCDPPARAPPARD
SCHEMBL3455858 0.91 SCD (0.54) SCD
SCHEMBL3455615 0.88 SCD (0.52) SCDCHRM4PPARAPPARD
SCHEMBL3454226 0.87 PPARA (0.53) SCDCHRM4PPARAPPARD
SCHEMBL3454462 0.85 SCD (0.51) SCDCHRM4
SCHEMBL3455556 0.84 SCD (0.46) SCD
SCHEMBL3455523 0.84 SCD (0.54) SCDPPARA
SCHEMBL3454886 0.84 SCD (0.49) SCDPPARAPPARD
SCHEMBL3455680 0.84 SCD (0.46) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP claimed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO claimed