SCHEMBL9018083

SCHEMBL9018083

O=C(Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cn1)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.46
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P4HTM Q9NXG6 2/20 0.43
CA2 P00918 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 1/20 0.41
DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL9018210 0.92 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL9018062 0.91 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL9018058 0.91 ACACB (0.43) EPHX2ALDH1A1HTTNPSR1P4HTM
SCHEMBL9018508 0.90 HSP90AA1 (0.42) ALDH1A1HTTNPSR1P4HTMOPRM1
SCHEMBL9018501 0.88 CXCR1 (0.42) LMNAMAPTP4HTMOPRM1OPRK1
SCHEMBL9018268 0.87 RAB9A (0.46) EPHX2ALDH1A1P4HTMRAB9ASMN1; SMN2
SCHEMBL9140731 0.87 P4HTM (0.51) SCN3AALDH1A1LMNAMAPTHTT
SCHEMBL9018540 0.86 RAB9A (0.47) EPHX2ALDH1A1P4HTMRAB9ASMN1; SMN2
SCHEMBL9018390 0.86 CA1 (0.44) EPHX2ALDH1A1LMNAMAPTHTT
SCHEMBL9018303 0.86 MCL1 (0.51) P4HTM

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