SCHEMBL9018286

SCHEMBL9018286

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
P4HTM Q9NXG6 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CASP3 P42574 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL9018331 0.95 RAB9A (0.40) GABRA5ALDH1A1RAB9AKMT2AMEN1
SCHEMBL9018177 0.94 RAB9A (0.40) ALDH1A1RAB9AKMT2AMEN1MAPT
SCHEMBL9018075 0.93 SMN1; SMN2 (0.43) RAB9AKMT2AMEN1MAPTLMNA
SCHEMBL9018269 0.92 GABRA5 (0.44) GABRA5ALDH1A1RAB9AKMT2AMEN1
SCHEMBL9018053 0.92 CA2 (0.40) KMT2AMEN1SMN1; SMN2P4HTMCASP3
SCHEMBL9018378 0.90 RAB9A (0.43) ALDH1A1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL9018154 0.90 RAB9A (0.49) RAB9ASMN1; SMN2HPGDCASP3
SCHEMBL9018055 0.90 SMN1; SMN2 (0.42) GABRA5KMT2AMEN1MAPTLMNA
SCHEMBL9018093 0.90 ALDH1A1 (0.42) ALDH1A1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL9018066 0.89 RAB9A (0.48) ALDH1A1RAB9AMAPTLMNAHTT

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