SCHEMBL9018161

SCHEMBL9018161

CC[C@H](C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPHX2 P34913 1/20 0.44
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
PTGS2 P35354 2/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL9018145 1.00 MAPT (0.49) MAPTMEN1KMT2AEPHX2BCL2L1
SCHEMBL9018424 0.92 MEN1 (0.45) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9018135 0.92 MEN1 (0.45) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9018462 0.92 MAPT (0.49) MAPTMEN1KMT2AEPHX2BCL2L1
SCHEMBL9018061 0.92 MAPT (0.49) MAPTMEN1KMT2AEPHX2BCL2L1
SCHEMBL9018557 0.92 MAPT (0.51) MAPTMEN1KMT2AEPHX2BCL2L1
SCHEMBL9018107 0.92 MAPT (0.51) MAPTMEN1KMT2AEPHX2BCL2L1
SCHEMBL9017982 0.92 PPARA (0.47) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9018306 0.92 PPARA (0.47) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9018413 0.92 MAPT (0.48) MAPTMEN1KMT2ACA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed