SCHEMBL9018549

SCHEMBL9018549

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 6/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
EGFR P00533 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9018176 0.94 LMNA (0.47) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9018389 0.93 LMNA (0.41) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9017984 0.92 ALDH1A1 (0.47) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9018067 0.91 LMNA (0.40) LMNAALDH1A1POLBRAB9AP4HTM
SCHEMBL9018110 0.91 ALDH1A1 (0.46) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9018453 0.91 HSD17B10 (0.48) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9018319 0.90 LMNA (0.40) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9018069 0.89 MEN1 (0.46) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9138000 0.88 P4HTM (0.45) LMNAALDH1A1POLBRAB9AGAA
SCHEMBL9018257 0.88 MMP2 (0.43) LMNAALDH1A1POLBRAB9AGAA

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