SCHEMBL9018441

SCHEMBL9018441

CCCCS(=O)(=O)NC(=O)c1ccc(OC(=O)OC(C)C)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.52
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PTPN1 P18031 1/20 0.39
P4HTM Q9NXG6 4/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL9018398 0.91 GABRA5 (0.55) GABRA5KCNK3KCNK9PTPN1P4HTM
SCHEMBL9018357 0.90 GABRA5 (0.51) GABRA5KCNK3KCNK9PTPN1P4HTM
SCHEMBL9018043 0.88 GABRA5 (0.47) GABRA5PTPN1P4HTM
SCHEMBL9018368 0.87 GABRA5 (0.46) GABRA5PTPN1P4HTM
SCHEMBL9018410 0.85 P4HTM (0.47) GABRA5P4HTM
SCHEMBL9017990 0.83 GABRA5 (0.43) GABRA5P4HTMMAPT
SCHEMBL9018094 0.83 CXCR1 (0.43) GABRA5
SCHEMBL9140663 0.83 P4HTM (0.48) GABRA5PTPN1P4HTMCYP2C9CYP2C19
SCHEMBL9018172 0.83 MMP8 (0.47) PTPN1P4HTMMEN1KMT2A
SCHEMBL9018316 0.82 CXCR1 (0.45) GABRA5CYP2C9CYP2C19

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