SCHEMBL7324465

SCHEMBL7324465

COCCc1nc(Cl)c(Oc2ccccc2OC)c(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHPS P49366 18/20 0.55
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL7304157 0.87 DHPS (0.56) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7330437 0.83 DHPS (0.59) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL31037825 0.79 DHPS (0.62) DHPSALDH1A1L3MBTL1
SCHEMBL31037801 0.79 DHPS (0.82) DHPSMAPK1L3MBTL1
SCHEMBL7204802 0.79 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5632471 0.79 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL8323583 0.78 ALDH1A1 (0.38) DHPSALDH1A1L3MBTL1CA12CA1
SCHEMBL31037848 0.77 DHPS (0.70) DHPSALDH1A1MAPK1L3MBTL1
SCHEMBL31037823 0.77 DHPS (0.60) DHPSALDH1A1MAPK1L3MBTL1
SCHEMBL31037842 0.77 DHPS (0.70) DHPSALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed