SCHEMBL9516939

SCHEMBL9516939

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
GABRA5 P31644 3/20 0.37
P4HTM Q9NXG6 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.35
SCN9A Q15858 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CASP3 P42574 3/20 0.34
EPHX2 P34913 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SCN5A Q14524 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
SCHEMBL9515669 0.92 LMNA (0.38) LMNAPOLBHDAC6GABRA5P4HTM
SCHEMBL9516321 0.89 LMNA (0.39) LMNAPOLBHDAC6GABRA5P4HTM
SCHEMBL9515835 0.86 LMNA (0.39) LMNAPOLBHDAC6GABRA5P4HTM
SCHEMBL9516945 0.83 LMNA (0.40) LMNAPOLBHDAC6GABRA5P4HTM
SCHEMBL9515607 0.79 EPHX2 (0.40) HDAC6GABRA5P4HTMHDAC3HDAC1
SCHEMBL9519643 0.78 GRM5 (0.39) HDAC6GABRA5P4HTMGRM5CASP3
SCHEMBL9516313 0.77 TLR4 (0.37) LMNAP4HTM
SCHEMBL9517908 0.76 CXCR1 (0.39) HDAC6GABRA5P4HTMHDAC3HDAC1
SCHEMBL9515678 0.75 APLNR (0.40) LMNAPOLBHDAC6GABRA5P4HTM
SCHEMBL9516269 0.75 P4HTM (0.40) POLBGABRA5P4HTMNPC1RAB9A

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