SCHEMBL9018077

SCHEMBL9018077

O=C(CCc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)Oc3ccccc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.46
MCL1 Q07820 3/20 0.46
P4HTM Q9NXG6 2/20 0.44
ALDH1A1 P00352 4/20 0.44
OPRM1 P35372 4/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 2/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PAX8 Q06710 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9018051 0.90 ALDH1A1 (0.45) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9018110 0.89 ALDH1A1 (0.46) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9140246 0.88 P4HTM (0.50) BCL2L1MCL1P4HTMALDH1A1POLB
SCHEMBL9018569 0.87 ALDH1A1 (0.43) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9018506 0.87 PPARA (0.56) BCL2L1MCL1ALDH1A1MEN1KMT2A
SCHEMBL9018079 0.87 ALDH1A1 (0.42) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9018108 0.87 ALDH1A1 (0.44) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9018313 0.87 ALDH1A1 (0.44) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL7870461 0.85 ALDH1A1 (0.49) P4HTMALDH1A1OPRM1OPRD1OPRK1
SCHEMBL7869439 0.85 RAB9A (0.42) BCL2L1MCL1P4HTMALDH1A1OPRM1

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