SCHEMBL9018495

SCHEMBL9018495

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)COc3ccccc3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
PTPN1 P18031 1/20 0.41
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 1/20 0.40
SGMS1 Q86VZ5 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9018484 0.92 POLB (0.49) POLBALDH1A1LMNAMAPTPTPN1
SCHEMBL9018096 0.92 PTPN1 (0.47) POLBALDH1A1LMNAMAPTPTPN1
SCHEMBL9018198 0.92 OPRM1 (0.40) POLBALDH1A1LMNAMAPTCA1
SCHEMBL9018345 0.92 OPRM1 (0.40) POLBALDH1A1LMNAMAPTCA1
SCHEMBL9018406 0.90 RAB9A (0.45) POLBALDH1A1LMNAMAPTCA1
SCHEMBL9018435 0.89 ALDH1A1 (0.39) ALDH1A1CA1CA2CA7CA9
SCHEMBL9018301 0.89 CA1 (0.41) POLBALDH1A1LMNAMAPTCA1
SCHEMBL9018505 0.89 MAPT (0.50) POLBLMNAMAPTCA1CA2
SCHEMBL9018066 0.88 RAB9A (0.48) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL9018212 0.85 POLB (0.49) POLBALDH1A1LMNAMAPTPTPN1

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