SCHEMBL9018010

SCHEMBL9018010

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX2 P34913 1/20 0.43
NAMPT P43490 1/20 0.42
P4HTM Q9NXG6 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PAX8 Q06710 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
SCHEMBL9018465 0.98 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018088 0.95 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018085 0.93 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018378 0.92 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018141 0.92 NPC1 (0.48) RAB9ANPC1SMN1; SMN2EPHX2NAMPT
SCHEMBL9018432 0.91 HTT (0.52) RAB9AALDH1A1HDAC2HDAC8HDAC6
SCHEMBL9018007 0.91 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018325 0.91 SMN1; SMN2 (0.44) SMN1; SMN2P4HTMHPGDHTTPAX8
SCHEMBL9018093 0.90 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018126 0.89 SMN1; SMN2 (0.40) SMN1; SMN2P4HTMHTT

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