SCHEMBL8568182

SCHEMBL8568182

CNC(=O)c1cc(C(F)(F)F)c(-c2ccccc2-c2ccccc2)c(F)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.48
PDK2 Q15119 2/20 0.39
S1PR1 P21453 1/20 0.39
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDCD1 Q15116 5/20 0.37
CD274 Q9NZQ7 5/20 0.37
ALDH1A1 P00352 2/20 0.36
TACR1 P25103 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL8572767 0.85 GAA (0.45) PLK1GAAKDM4EMAPTHPGD
SCHEMBL7453899 0.80 GAA (0.44) PLK1GAAKDM4EMAPTHPGD
SCHEMBL8572559 0.78 GAA (0.45) PLK1GAAKDM4EMAPTHPGD
SCHEMBL8572523 0.77 PLK1 (0.46) PLK1PDK2CFTRGAAHTT
SCHEMBL7454511 0.76 GAA (0.45) PLK1PDK2GAAHPGDHTT
SCHEMBL8567754 0.71 HTT (0.51) PLK1GAAKDM4EMAPTHTT
SCHEMBL15074688 0.70 KAT6A (0.59) PLK1PDK2GAAKDM4EMAPT
SCHEMBL30147654 0.70 KAT6A (0.59) PLK1PDK2GAAKDM4EMAPT
SCHEMBL8572444 0.70 FGFR1 (0.39) PLK1GAAKDM4EMAPTHPGD
SCHEMBL7445914 0.70 MYC (0.53) PLK1PDK2GAAKDM4EMAPT

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed