SCHEMBL8569020

SCHEMBL8569020

CNC(=O)c1c(F)ccc(C)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
HTT P42858 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 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
SCHEMBL8574757 0.86 GAA (0.48) GAAHDAC6HTTHDAC2HDAC8
SCHEMBL26931633 0.81 GAA (0.38) GAAHDAC6HDAC1HTTKDM4C
SCHEMBL1019798 0.80 POLB (0.42) GAAHDAC6HDAC1HTTKDM4C
SCHEMBL2301708 0.79 GAA (0.43) GAAHDAC6HDAC1HTTHDAC2
SCHEMBL1018937 0.78 MEN1 (0.42) HDAC6HDAC1HTTCCNB2CDK1
SCHEMBL697516 0.78 PKM (0.39) HDAC6HDAC1HTTKDM4CHDAC2
SCHEMBL14454108 0.77 GAA (0.53) GAAHTTKDM4CHDAC4MAPT
SCHEMBL8570975 0.77 GAA (0.40) GAAHDAC6HDAC1HTTKDM4C
SCHEMBL3205636 0.77 CA12 (0.44) HDAC6HDAC1MAPK1NPC1RAB9A
SCHEMBL13349285 0.77 GAA (0.41) GAAHDAC6HDAC2HDAC8NPC1

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