SCHEMBL9018028

SCHEMBL9018028

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
POLB P06746 2/20 0.52
SGMS1 Q86VZ5 6/20 0.50
ALDH1A1 P00352 5/20 0.48
BCL2L1 Q07817 3/20 0.47
MCL1 Q07820 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.44

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
SCHEMBL9018186 0.93 POLB (0.51) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL9018015 0.92 POLB (0.49) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL9018484 0.92 POLB (0.49) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL9018096 0.92 PTPN1 (0.47) PTPN1POLBSGMS1ALDH1A1LMNA
SCHEMBL9018212 0.91 POLB (0.49) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL9018140 0.91 POLB (0.49) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL9018298 0.90 PTPN1 (0.55) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL7870440 0.90 PTPN1 (0.49) PTPN1POLBSGMS1ALDH1A1BCL2L1
SCHEMBL9018302 0.89 CA1 (0.50) SGMS1ALDH1A1BCL2L1MCL1SMN1; SMN2
SCHEMBL9018029 0.88 MEN1 (0.50) ALDH1A1BCL2L1MCL1LMNASMN1; SMN2

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