SCHEMBL9018342

SCHEMBL9018342

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3OC)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL9018163 0.93 POLB (0.49) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL9018009 0.92 POLB (0.46) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL9018294 0.92 POLB (0.45) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL9018066 0.89 RAB9A (0.48) MAPTRAB9AALDH1A1
SCHEMBL9018400 0.89 MEN1 (0.46) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL9018109 0.88 SMN1; SMN2 (0.51) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL9018331 0.88 RAB9A (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL9018348 0.87 NPC1 (0.42) MAPTROCK2ROCK1RAB9AALDH1A1
SCHEMBL9018003 0.87 CA1 (0.49) MEN1KMT2AMAPTROCK2ROCK1
SCHEMBL9018137 0.86 POLB (0.44) MEN1KMT2AMAPTPOLBTDP1

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