SCHEMBL9018055

SCHEMBL9018055

CCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC(CC)CC)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
P4HTM Q9NXG6 3/20 0.40
CASP3 P42574 2/20 0.39
HTT P42858 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 2/20 0.38
BCL2L1 Q07817 2/20 0.38
MCL1 Q07820 2/20 0.38
NAMPT P43490 2/20 0.36
PTGS2 P35354 1/20 0.36
KAT6A Q92794 1/20 0.36

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
SCHEMBL9018526 0.92 SMN1; SMN2 (0.45) SMN1; SMN2P4HTMCASP3HTTOPRM1
SCHEMBL9018408 0.92 SMN1; SMN2 (0.46) SMN1; SMN2P4HTMCASP3HTTOPRM1
SCHEMBL9018075 0.91 SMN1; SMN2 (0.43) SMN1; SMN2P4HTMCASP3HTTMEN1
SCHEMBL9018331 0.91 RAB9A (0.40) SMN1; SMN2P4HTMCASP3HTTMEN1
SCHEMBL9018122 0.91 HTT (0.50) P4HTMHTTOPRM1OPRD1OPRK1
SCHEMBL9018053 0.90 CA2 (0.40) SMN1; SMN2P4HTMCASP3MEN1KMT2A
SCHEMBL9018066 0.90 RAB9A (0.48) SMN1; SMN2P4HTMHTTOPRM1OPRD1
SCHEMBL9018286 0.90 GABRA5 (0.40) SMN1; SMN2P4HTMCASP3HTTMEN1
SCHEMBL9018203 0.90 EGFR (0.42) P4HTMOPRM1OPRD1OPRK1GABRA5
SCHEMBL9018177 0.88 RAB9A (0.40) SMN1; SMN2CASP3HTTMEN1LMNA

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