SCHEMBL9018085

SCHEMBL9018085

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EPHX2 P34913 1/20 0.46
NAMPT P43490 1/20 0.44
P4HTM Q9NXG6 3/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM5B Q9UGL1 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
SCHEMBL9018007 0.97 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018282 0.95 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018010 0.93 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018378 0.92 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018179 0.91 NPC1 (0.49) RAB9ANPC1SMN1; SMN2EPHX2NAMPT
SCHEMBL9018147 0.91 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018465 0.91 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018274 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL9018269 0.90 GABRA5 (0.44) RAB9ASMN1; SMN2ALDH1A1P4HTMHPGD
SCHEMBL9018092 0.90 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2ALDH1A1P4HTMHTT

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