SCHEMBL9515431

SCHEMBL9515431

O=C(NS(=O)(=O)CCCC(O)c1cccc(C(F)(F)F)c1)c1ccc(CO)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
HDAC1 Q13547 11/20 0.39
HDAC6 Q9UBN7 11/20 0.39
HDAC5 Q9UQL6 9/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
NAMPT P43490 2/20 0.38
CES2 O00748 1/20 0.37
SCD O00767 1/20 0.37
KLRK1 P26718 1/20 0.37
MICA Q29983 1/20 0.37
RAET1L Q5VY80 1/20 0.37

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
SCHEMBL9519439 0.95 PNMT (0.42) PNMTHDAC1HDAC6HDAC5HDAC8
SCHEMBL9517180 0.90 PNMT (0.44) PNMTHDAC1HDAC6HDAC5HDAC8
SCHEMBL9515974 0.89 HIF1A (0.39) HDAC1HDAC6HDAC5HDAC8HDAC3
SCHEMBL9515550 0.88 MEN1 (0.36) HDAC1HDAC6HDAC5HDAC8HDAC3
SCHEMBL9516279 0.84 HIF1A (0.39) HDAC1HDAC6HDAC5HDAC8HDAC3
SCHEMBL9516716 0.83 EPHX2 (0.36) HDAC1HDAC6HDAC5HDAC8HDAC3
SCHEMBL9519314 0.81 EGFR (0.37) HDAC6
SCHEMBL9518016 0.81 MEN1 (0.38) HDAC1HDAC6HDAC3HDAC2
SCHEMBL9515897 0.79 EGFR (0.42) HDAC1HDAC6HDAC3HDAC2
SCHEMBL9517174 0.79 HDAC1 (0.39) HDAC1HDAC6HDAC5HDAC8HDAC3

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
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed