SCHEMBL7296266

SCHEMBL7296266

COc1cc(F)ccc1Oc1c(O)nc(-c2ncccn2)nc1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPA1 O75762 1/20 0.42
EDNRA P25101 3/20 0.40
EDNRB P24530 1/20 0.40
CYP19A1 P11511 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 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
SCHEMBL7296272 0.86 DHPS (0.42) DHPSTRPA1NPBWR1MCHR1
SCHEMBL1937757 0.86 EDNRA (0.49) DHPSEDNRAEDNRBCYP19A1
SCHEMBL7300009 0.84 DHPS (0.51) DHPSL3MBTL1TRPA1EDNRANPBWR1
SCHEMBL1257596 0.77 DHPS (0.52) DHPSEDNRAEDNRB
SCHEMBL7942227 0.74 HPGD (0.45) L3MBTL1EDNRAEDNRBCYP19A1
SCHEMBL9423634 0.74 FFAR1 (0.51) L3MBTL1
SCHEMBL29685386 0.70 SYK (0.50) L3MBTL1TRPA1CYP19A1
SCHEMBL5035340 0.70 DHPS (0.43) DHPS
SCHEMBL28568819 0.70 DHPS (0.59) DHPS
SCHEMBL4061462 0.70 DHPS (0.49) DHPSEDNRAEDNRB

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