SCHEMBL9018096

SCHEMBL9018096

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)COc3ccccc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44
SGMS1 Q86VZ5 4/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL9018495 0.92 POLB (0.43) PTPN1ALDH1A1LMNAPOLBSGMS1
SCHEMBL9018028 0.92 PTPN1 (0.53) PTPN1ALDH1A1LMNAPOLBSGMS1
SCHEMBL9018343 0.91 CA1 (0.43) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL9018068 0.91 P4HTM (0.43) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL7862669 0.91 CYP1A2 (0.45) PTPN1ALDH1A1LMNAPOLBSGMS1
SCHEMBL9018274 0.89 RAB9A (0.48) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL7871649 0.89 ALDH1A1 (0.44) PTPN1ALDH1A1LMNAPOLBSGMS1
SCHEMBL9018311 0.88 P4HTM (0.42) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL9018356 0.87 ALDH1A1 (0.41) ALDH1A1OPRM1OPRD1OPRK1P4HTM
SCHEMBL9139519 0.87 P4HTM (0.48) PTPN1ALDH1A1LMNAPOLBSGMS1

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