SCHEMBL17090248

SCHEMBL17090248

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.49
CNR2 P34972 1/20 0.40
SLC22A12 Q96S37 2/20 0.40
AR P10275 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
P2RX7 Q99572 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL13565908 0.90 SLC22A12 (0.48) KIF11CNR2SLC22A12ARCA1
SCHEMBL11935979 0.88 FLT1 (0.41) KIF11CNR2ARCA1CA2
SCHEMBL13565221 0.87 MAPT (0.45) SLC22A12CA1CA2PTPN11
SCHEMBL11936047 0.86 FFAR4 (0.40) KIF11CNR2ARCA1CA2
SCHEMBL13566041 0.86 CA1 (0.39) KIF11CNR2SLC22A12CA1CA2
SCHEMBL13565875 0.85 MAPT (0.42) CA1CA2PTPN11
SCHEMBL17090293 0.84 KIF11 (0.48) KIF11CNR2SLC22A12ARP2RX7
SCHEMBL13565871 0.82 UTS2R (0.42) CNR2PTGDR2UTS2RFFAR4
SCHEMBL13565680 0.81 CA1 (0.45) CA1CA2
SCHEMBL13565011 0.81 CA1 (0.53) CA1CA2PTPN11

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