SCHEMBL17090293

SCHEMBL17090293

CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
PPARA Q07869 1/20 0.42
NR3C1 P04150 1/20 0.39
CNR2 P34972 1/20 0.38
AR P10275 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
ADRA2A P08913 1/20 0.36
P2RX7 Q99572 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
EPHX2 P34913 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL13565602 0.90 SLC22A12 (0.44) KIF11PPARANR3C1CNR2AR
SCHEMBL13565062 0.88 PPARA (0.44) KIF11PPARANR3C1CNR2AR
SCHEMBL13565952 0.87 PPARA (0.41) KIF11PPARANR3C1CNR2AR
SCHEMBL13565337 0.86 PPARA (0.42) KIF11PPARAADRA2AHIF1AEPHX2
SCHEMBL13565078 0.86 MAPT (0.45) PPARAHIF1A
SCHEMBL17090248 0.84 KIF11 (0.49) KIF11CNR2ARSLC22A12P2RX7
SCHEMBL13565693 0.84 MAPT (0.42) PPARAHIF1A
SCHEMBL11936147 0.83 UTS2R (0.41) PPARAUTS2RHIF1AFFAR4
SCHEMBL13565993 0.81 PPARA (0.55) KIF11PPARAADRA2AFFAR1
SCHEMBL11936067 0.81 CA1 (0.45) HIF1AFFAR1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed