SCHEMBL9018282

SCHEMBL9018282

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
KDM5B Q9UGL1 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAPT P10636 2/20 0.46
AKR1C3 P42330 1/20 0.45
P4HTM Q9NXG6 1/20 0.45

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
SCHEMBL9018274 0.95 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018085 0.95 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018007 0.94 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018088 0.93 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018133 0.92 CA1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018119 0.92 PPARA (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018255 0.92 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018296 0.92 HTT (0.55) RAB9AALDH1A1HDAC2HDAC8HDAC6
SCHEMBL9018066 0.92 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018232 0.91 NPC1 (0.51) 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