SCHEMBL8570975

SCHEMBL8570975

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
MAPT P10636 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL8572286 0.81 HDAC1 (0.44) GAAPOLBHDAC1HDAC6TSHR
SCHEMBL4438092 0.78 MEN1 (0.43) POLBHTTKDM4CMEN1KMT2A
SCHEMBL8569020 0.77 GAA (0.44) GAAHTTKDM4CHDAC1HDAC6
SCHEMBL10700790 0.76 GAA (0.65) GAAHTTKDM4CTSHRMEN1
SCHEMBL17372335 0.76 POLB (0.38) POLBHTTKDM4CHDAC1HDAC6
SCHEMBL8569915 0.75 CA1 (0.52) GAAPOLBHDAC1HDAC6TSHR
SCHEMBL1004213 0.75 GAA (0.45) GAAHTTHDAC1HDAC6KMT2A
SCHEMBL4172084 0.74 HTT (0.50) GAAHTTKDM4CHDAC6TSHR
SCHEMBL8574757 0.74 GAA (0.48) GAAHTTHDAC6TSHRMEN1
SCHEMBL1001989 0.74 HDAC6 (0.44) GAAHTTHDAC1HDAC6TSHR

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 claimed