SCHEMBL9018380

SCHEMBL9018380

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
PPARA Q07869 1/20 0.45
OPRK1 P41145 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
P4HTM Q9NXG6 3/20 0.43
TP53 P04637 1/20 0.43
MCHR1 Q99705 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL9017989 0.97 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018091 0.93 MEN1 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9017988 0.92 PPARA (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018424 0.92 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018230 0.92 PPARA (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018462 0.92 MAPT (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9017999 0.92 MAPT (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018142 0.92 NPC1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018135 0.92 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9018061 0.92 MAPT (0.49) MEN1KMT2ASMN1; 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