SCHEMBL9516945

SCHEMBL9516945

CC(C)C(=O)OCc1ccc(C(=O)NS(=O)(=O)CC(O)c2ccc(F)cc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
APLNR P35414 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GABRA5 P31644 4/20 0.36
SCN9A Q15858 4/20 0.35
P4HTM Q9NXG6 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SCN5A Q14524 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
GRM5 P41594 1/20 0.34
MAOB P27338 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
SCHEMBL9515678 0.93 APLNR (0.40) LMNAPOLBAPLNRHDAC6NPC1
SCHEMBL9516327 0.88 APLNR (0.39) LMNAPOLBAPLNRHDAC6NPC1
SCHEMBL9515843 0.86 LMNA (0.40) LMNAPOLBAPLNRHDAC6NPC1
SCHEMBL9516939 0.83 LMNA (0.39) LMNAPOLBHDAC6NPC1RAB9A
SCHEMBL9515611 0.79 EPHX2 (0.39) APLNRHDAC6P4HTMHDAC3HDAC1
SCHEMBL9519649 0.78 GRM5 (0.38) HDAC6GABRA5P4HTMGRM5MAOB
SCHEMBL9516318 0.76 PPARG (0.37) LMNAGABRA5
SCHEMBL9515669 0.76 LMNA (0.38) LMNAPOLBHDAC6NPC1RAB9A
SCHEMBL9517189 0.76 LMNA (0.39) LMNAPOLBAPLNRHDAC6NPC1
SCHEMBL9515528 0.76 LMNA (0.38) LMNAPOLBAPLNRHDAC6NPC1

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