SCHEMBL9017984

SCHEMBL9017984

CCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC(C)C)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.40
P4HTM Q9NXG6 1/20 0.38
EGFR P00533 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL9018453 0.95 HSD17B10 (0.48) ALDH1A1POLBLMNAHSD17B10RAB9A
SCHEMBL9018208 0.93 ALDH1A1 (0.45) ALDH1A1POLBLMNAHSD17B10HPGD
SCHEMBL9018243 0.93 ALDH1A1 (0.50) ALDH1A1POLBLMNAHSD17B10HPGD
SCHEMBL9018211 0.92 ALDH1A1 (0.46) ALDH1A1POLBLMNAHSD17B10HPGD
SCHEMBL9018549 0.92 LMNA (0.43) ALDH1A1POLBLMNARAB9AGAA
SCHEMBL9018110 0.91 ALDH1A1 (0.46) ALDH1A1POLBLMNARAB9AGAA
SCHEMBL9018364 0.91 ALDH1A1 (0.45) ALDH1A1POLBLMNAHSD17B10HPGD
SCHEMBL9018067 0.90 LMNA (0.40) ALDH1A1POLBLMNARAB9AP4HTM
SCHEMBL9018069 0.90 MEN1 (0.46) ALDH1A1POLBLMNAP4HTMEGFR
SCHEMBL9018200 0.89 ALDH1A1 (0.48) ALDH1A1POLBLMNAHSD17B10HPGD

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