SCHEMBL9018015

SCHEMBL9018015

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)COc3ccccc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PTPN1 P18031 1/20 0.48
SGMS1 Q86VZ5 5/20 0.46
BCL2L1 Q07817 3/20 0.45
MCL1 Q07820 3/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
HPGD P15428 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
SCHEMBL9018028 0.92 PTPN1 (0.53) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL9018226 0.90 CA1 (0.48) ALDH1A1LMNAMAPTOPRM1OPRD1
SCHEMBL9018051 0.90 ALDH1A1 (0.45) POLBALDH1A1LMNAGAAMAPT
SCHEMBL9018298 0.90 PTPN1 (0.55) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL9018484 0.90 POLB (0.49) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL9018186 0.89 POLB (0.51) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL9018251 0.89 MAPT (0.49) BCL2L1MCL1LMNAMAPTOPRM1
SCHEMBL9018212 0.89 POLB (0.49) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL9018140 0.89 POLB (0.49) POLBPTPN1SGMS1BCL2L1MCL1
SCHEMBL9018429 0.88 NPC1 (0.51) POLBLMNAMAPTOPRM1OPRD1

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