SCHEMBL9018142

SCHEMBL9018142

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
OPRK1 P41145 5/20 0.44
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
P4HTM Q9NXG6 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
MLYCD O95822 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
SCHEMBL9018499 0.97 OPRK1 (0.44) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9017989 0.95 NPC1 (0.48) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9018218 0.93 OPRK1 (0.45) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9018380 0.92 MEN1 (0.46) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9018378 0.92 RAB9A (0.43) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9018141 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9018179 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2OPRK1EPHX2
SCHEMBL9018001 0.91 OPRK1 (0.44) NPC1RAB9ASMN1; SMN2OPRK1MAPT
SCHEMBL9018148 0.90 CA2 (0.42) NPC1RAB9AOPRK1EPHX2P4HTM
SCHEMBL9018093 0.90 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2OPRK1MAPT

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