SCHEMBL7296272

SCHEMBL7296272

COc1cc(F)ccc1Oc1c(O)nc(-c2nc(O)cc(O)n2)nc1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.42
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
TRPA1 O75762 1/20 0.39
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
PIN1 Q13526 3/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL7296266 0.86 DHPS (0.43) DHPSNPBWR1MCHR1TRPA1
SCHEMBL1937757 0.71 EDNRA (0.49) DHPS
SCHEMBL7300009 0.70 DHPS (0.51) DHPSNPBWR1MCHR1TRPA1
SCHEMBL7294883 0.70 DHPS (0.50) DHPSNPBWR1MCHR1TRPA1
SCHEMBL166380 0.69 NFE2L2 (0.61) PDGFRBPDGFRA
SCHEMBL18472613 0.69 NFE2L2 (0.61) PDGFRBPDGFRA
SCHEMBL4061462 0.69 DHPS (0.49) DHPS
SCHEMBL7303200 0.68 NPBWR1 (0.48) DHPSNPBWR1MCHR1TRPA1PDGFRB
SCHEMBL7483960 0.67 HTT (0.48) DHPS
SCHEMBL10645528 0.67 ADORA3 (0.52)

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