SCHEMBL9018063

SCHEMBL9018063

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
P4HTM Q9NXG6 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
EGFR P00533 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 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
SCHEMBL9018067 0.94 LMNA (0.40) LMNAALDH1A1POLBP4HTMKMT2A
SCHEMBL9018081 0.91 LMNA (0.39) LMNAALDH1A1POLBP4HTMKMT2A
SCHEMBL9018176 0.91 LMNA (0.47) LMNAALDH1A1POLBP4HTMKMT2A
SCHEMBL9018123 0.90 OPRM1 (0.43) ALDH1A1POLBP4HTMKMT2AOPRM1
SCHEMBL9018433 0.89 CTDSP1 (0.41) LMNAALDH1A1POLBRAB9A
SCHEMBL9018243 0.89 ALDH1A1 (0.50) LMNAALDH1A1POLBP4HTMKMT2A
SCHEMBL9018021 0.89 P4HTM (0.44) LMNAALDH1A1POLBP4HTMKMT2A
SCHEMBL9018384 0.88 LMNA (0.43) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL9018443 0.88 CA1 (0.37) LMNAALDH1A1POLBP4HTMKMT2A
SCHEMBL9018302 0.87 CA1 (0.50) ALDH1A1P4HTMEGFROPRM1OPRD1

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