SCHEMBL7300009

SCHEMBL7300009

COc1cc(F)ccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 14/20 0.51
▸ NPBWR1 P48145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ EDNRA P25101 1/20 0.39

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
SCHEMBL29770374 0.86 DHPS (0.58) DHPSEDNRA
SCHEMBL618135 0.86 DHPS (0.58) DHPSEDNRA
SCHEMBL7296266 0.84 DHPS (0.43) DHPSNPBWR1MCHR1L3MBTL1TRPA1
SCHEMBL7294883 0.82 DHPS (0.50) DHPSNPBWR1MCHR1TRPA1
SCHEMBL7303200 0.80 NPBWR1 (0.48) DHPSNPBWR1MCHR1TRPA1
SCHEMBL28584109 0.79 DHPS (0.65) DHPS
SCHEMBL7795451 0.78 DHPS (0.53) DHPSEDNRA
SCHEMBL7305726 0.78 EDNRA (0.63) DHPSEDNRA
SCHEMBL4064097 0.77 DHPS (0.74) DHPS
SCHEMBL1257596 0.77 DHPS (0.52) DHPSEDNRA

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
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