SCHEMBL9018402

SCHEMBL9018402

COc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OCc3ccccc3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TGM2 P21980 1/20 0.42
RORC P51449 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
NAMPT P43490 2/20 0.41
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL9018157 0.91 POLB (0.47) POLBTDP1MEN1KMT2AMAPT
SCHEMBL9018440 0.91 POLB (0.49) POLBTDP1MEN1KMT2AMAPT
SCHEMBL9018511 0.89 KMT2A (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL9018104 0.88 BCL2L1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9139257 0.87 P4HTM (0.46) POLBTDP1MEN1KMT2AMAPT
SCHEMBL9018234 0.87 POLB (0.46) POLBTDP1MEN1KMT2AMAPT
SCHEMBL9018417 0.87 NPC1 (0.46) NPC1RAB9ANAMPTBCL2L1MCL1
SCHEMBL9018237 0.87 CA1 (0.55) MEN1KMT2AMAPTALDH1A1ROCK2
SCHEMBL9018032 0.86 HSP90AA1 (0.46) NPC1RAB9ANAMPTBCL2L1MCL1
SCHEMBL9018294 0.86 POLB (0.45) POLBTDP1MEN1KMT2AMAPT

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