SCHEMBL9515526

SCHEMBL9515526

CCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
HTT P42858 1/20 0.42
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CNR2 P34972 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL9516911 0.99 MAPT (0.47) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9515521 0.99 MAPT (0.47) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9517289 0.99 MAPT (0.47) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9515824 0.92 PPARA (0.46) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9517102 0.92 NPC1 (0.49) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9515737 0.91 NPC1 (0.49) MAPTMEN1KMT2ACA2CA12
SCHEMBL9516967 0.91 KMT2A (0.49) MAPTMEN1KMT2ACNR2LMNA
SCHEMBL9519339 0.91 NPC1 (0.49) MAPTMEN1KMT2ACA2CA12
SCHEMBL9515699 0.91 PPARA (0.46) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9517205 0.91 PPARA (0.46) MAPTMEN1KMT2ABCL2L1MCL1

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