SCHEMBL9018066

SCHEMBL9018066

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MAPT P10636 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL9018406 0.96 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018378 0.95 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018093 0.94 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018348 0.93 NPC1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018326 0.93 PPARA (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018122 0.93 HTT (0.50) RAB9AALDH1A1HDAC2HDAC8HDAC6
SCHEMBL9018003 0.92 CA1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018109 0.92 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9018088 0.92 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9017989 0.92 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HDAC2HDAC8

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