SCHEMBL9018308

SCHEMBL9018308

CCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.46
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EGFR P00533 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL9018504 0.92 CA12 (0.46) P4HTMMEN1USP2KMT2AHSD17B10
SCHEMBL9018407 0.91 ATM (0.41) P4HTMATMMEN1USP2KMT2A
SCHEMBL9018165 0.89 PTPN1 (0.51) P4HTMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9018503 0.89 HSD17B10 (0.50) P4HTMMEN1USP2KMT2AHSD17B10
SCHEMBL9018559 0.87 MEN1 (0.53) P4HTMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9018022 0.86 ALDH1A1 (0.60) MEN1KMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7869445 0.86 PKM (0.43) P4HTMATMMEN1USP2KMT2A
SCHEMBL9018365 0.86 L3MBTL1 (0.61) P4HTMMEN1KMT2AALDH1A1CYP2C9
SCHEMBL9018162 0.85 SMN1; SMN2 (0.54) P4HTMMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL7874562 0.85 EGFR (0.43) P4HTMATMMEN1USP2KMT2A

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