SCHEMBL9018294

SCHEMBL9018294

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3OC)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TGM2 P21980 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.40
P4HTM Q9NXG6 1/20 0.39

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
SCHEMBL9018137 0.94 POLB (0.44) POLBTDP1MAPTMEN1KMT2A
SCHEMBL9018440 0.93 POLB (0.49) POLBTDP1MAPTMEN1KMT2A
SCHEMBL9018342 0.92 MEN1 (0.45) POLBTDP1MAPTMEN1KMT2A
SCHEMBL9018234 0.92 POLB (0.46) POLBTDP1MAPTMEN1KMT2A
SCHEMBL9018157 0.90 POLB (0.47) POLBTDP1MAPTMEN1KMT2A
SCHEMBL9017989 0.88 NPC1 (0.48) MAPTMEN1KMT2AP4HTM
SCHEMBL9018380 0.88 MEN1 (0.46) MAPTMEN1KMT2AP4HTM
SCHEMBL9018182 0.87 CA1 (0.54) MAPTMEN1KMT2AALDH1A1
SCHEMBL9018256 0.86 KMT2A (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9018402 0.86 POLB (0.45) POLBTDP1MAPTMEN1KMT2A

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