SCHEMBL7201140

SCHEMBL7201140

COc1ccccc1Oc1c(O)nc(SC)nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ DHPS P49366 8/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7483960 0.83 HTT (0.48) MAPK1HTTALDH1A1L3MBTL1CA1
SCHEMBL5632966 0.81 HTT (0.47) MAPK1HTTALDH1A1L3MBTL1CA1
SCHEMBL5631299 0.81 DHPS (0.52) ALPLMAPK1HTTALDH1A1L3MBTL1
SCHEMBL5631066 0.80 HTT (0.46) MAPK1HTTALDH1A1L3MBTL1CA1
SCHEMBL28568819 0.77 DHPS (0.59) ALDH1A1DHPSMEN1KMT2AMAPT
SCHEMBL1937757 0.76 EDNRA (0.49) DHPS
SCHEMBL5632559 0.76 ALDH1A1 (0.48) MAPK1HTTALDH1A1L3MBTL1CA1
SCHEMBL5633884 0.75 DHPS (0.64) MAPK1HTTALDH1A1L3MBTL1DHPS
SCHEMBL4061462 0.74 DHPS (0.49) ALDH1A1DHPSTP53MEN1KMT2A
SCHEMBL31037845 0.74 HTR6 (0.46) MAPK1HTTALDH1A1L3MBTL1DHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 — — US disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 — — WO disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 — — EP disclosed
EP-0743307-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2001-09-12 — — EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 — — WO disclosed
EP-0959073-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1999-11-24 — — EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 — — US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 — — EP disclosed
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