SCHEMBL9018029

SCHEMBL9018029

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.49
PPARA Q07869 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
P4HTM Q9NXG6 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
MCHR1 Q99705 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL9018232 0.97 NPC1 (0.51) MEN1KMT2AMAPTPPARASMN1; SMN2
SCHEMBL9018480 0.93 MEN1 (0.47) MEN1KMT2AMAPTPPARASMN1; SMN2
SCHEMBL9018251 0.92 MAPT (0.49) MEN1KMT2AMAPTPPARASMN1; SMN2
SCHEMBL9018179 0.91 NPC1 (0.49) SMN1; SMN2NPC1RAB9AP4HTMOPRM1
SCHEMBL9018181 0.91 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9018347 0.91 EGFR (0.53) MEN1KMT2AMAPTPPARASMN1; SMN2
SCHEMBL9018049 0.91 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9018057 0.91 KMT2A (0.58) MEN1KMT2AMAPTPPARASMN1; SMN2
SCHEMBL9018380 0.91 MEN1 (0.46) MEN1KMT2AMAPTPPARASMN1; SMN2
SCHEMBL9018274 0.91 RAB9A (0.48) MAPTPPARASMN1; SMN2NPC1RAB9A

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