SCHEMBL7363974

SCHEMBL7363974

OB(O)c1ccc(OCCOC2CCCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4C Q9H3R0 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
HRH3 Q9Y5N1 5/20 0.38
KCNH2 Q12809 2/20 0.38
CHEK1 O14757 1/20 0.36
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1807973 0.85 MEN1 (0.62) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1092270 0.82 KDM4C (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2367702 0.82 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7263741 0.82 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL171304 0.82 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL3806558 0.81 MEN1 (0.61) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL25263932 0.81 MEN1 (0.58) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1813642 0.81 MEN1 (0.73) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2981986 0.80 MEN1 (0.88) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL852465 0.80 TNK2 (0.41) MEN1KMT2AKDM4CNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP disclosed
US-6258817-B1 PRODRUGS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS ZENECA LTD. (GB) 2001-07-10 US disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed