SCHEMBL7304397

SCHEMBL7304397

COc1ccccc1Oc1c(Cl)nc(N)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.62
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL7204802 0.86 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5632471 0.86 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5631299 0.80 DHPS (0.52) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7297418 0.80 DHPS (0.52) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7303389 0.80 DHPS (0.81) DHPSALDH1A1HTT
SCHEMBL7330437 0.80 DHPS (0.59) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7197670 0.79 DHPS (0.51) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL618135 0.79 DHPS (0.58) DHPS
SCHEMBL29770374 0.79 DHPS (0.58) DHPS
SCHEMBL9681693 0.79 HSP90AA1 (0.60) DHPSHSP90AA1HSP90AB1ALDH1A1ADORA2A

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