SCHEMBL9017981

SCHEMBL9017981

CCOCCCNC(=O)c1cc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC3CCCCC3)nc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ESR1 P03372 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ABCC8 Q09428 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.36
CCR2 P41597 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9018277 0.89 POLB (0.42) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL9018020 0.89 HPGD (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9018550 0.88 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9136958 0.88 POLB (0.41) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL9018317 0.87 HPGD (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9018491 0.87 MAPT (0.40) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL7862781 0.86 POLB (0.43) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL9018002 0.85 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL9018239 0.85 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7867840 0.84 POLB (0.42) ALDH1A1MAPTPOLBTDP1MEN1

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