SCHEMBL8569915

SCHEMBL8569915

CNC(=O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.52
CA2 P00918 13/20 0.52
CA4 P22748 2/20 0.52
GAA P10253 1/20 0.45
CA9 Q16790 10/20 0.45
POLB P06746 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4172084 0.80 HTT (0.50) GAATSHRMAPTHDAC6
SCHEMBL8574757 0.80 GAA (0.48) CA1CA2CA4GAACES2
SCHEMBL8572286 0.79 HDAC1 (0.44) CA1CA2CA4GAAPOLB
SCHEMBL9425021 0.77 CA1 (0.52) CA1CA2CA4GAACA9
SCHEMBL1004213 0.77 GAA (0.45) GAACES2CES1HDAC1HDAC6
SCHEMBL7981473 0.77 CES2 (0.56) CA2GAACES2CES1TSHR
SCHEMBL8570975 0.75 GAA (0.40) GAAPOLBTSHRMAPTHDAC1
SCHEMBL8571937 0.74 TAS1R3 (0.57)
SCHEMBL6392912 0.74 GAA (0.52) GAAPOLBCES2CES1MAPT
SCHEMBL15594366 0.74 CREBBP (0.44) GAAHDAC1HDAC6

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