SCHEMBL9018331

SCHEMBL9018331

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
GABRA5 P31644 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P4HTM Q9NXG6 3/20 0.38
PTPN11 Q06124 1/20 0.38
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
SCHEMBL9018286 0.95 GABRA5 (0.40) RAB9AGABRA5KMT2AMEN1LMNA
SCHEMBL9018118 0.92 RAB9A (0.44) RAB9AGABRA5KMT2AMEN1LMNA
SCHEMBL9018154 0.92 RAB9A (0.49) RAB9ASMN1; SMN2CASP3HPGD
SCHEMBL9018075 0.92 SMN1; SMN2 (0.43) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL9018375 0.91 MEN1 (0.41) RAB9AGABRA5KMT2AMEN1LMNA
SCHEMBL9018055 0.91 SMN1; SMN2 (0.42) GABRA5KMT2AMEN1LMNAMAPT
SCHEMBL9018177 0.90 RAB9A (0.40) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL9018053 0.90 CA2 (0.40) KMT2AMEN1SMN1; SMN2P4HTMCASP3
SCHEMBL9018066 0.90 RAB9A (0.48) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL9018109 0.89 SMN1; SMN2 (0.51) RAB9AKMT2AMEN1LMNAMAPT

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