SCHEMBL5224445

SCHEMBL5224445

C=C(F)c1cccc2nc(-c3ccc(O)c(F)c3)oc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.54
ESR1 P03372 14/20 0.54
DHODH Q02127 1/20 0.47
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
MAPT P10636 1/20 0.39
SNCA P37840 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
SCHEMBL1378367 0.85 ESR2 (0.67) ESR2ESR1
SCHEMBL3402023 0.81 ESR2 (0.72) ESR2ESR1
SCHEMBL3924579 0.77 ESR2 (0.48) ESR2ESR1
SCHEMBL22310241 0.72 ESR2 (0.51) ESR2ESR1
SCHEMBL1378632 0.70 ESR2 (1.00) ESR2ESR1
Prinaberel SCHEMBL1379424 0.70 ESR2 (1.00) ESR2ESR1
SCHEMBL3930286 0.70 ESR2 (0.43) ESR2ESR1
SCHEMBL3398729 0.69 DHODH (0.56) ESR2ESR1DHODH
Prinaberel SCHEMBL3613805 0.69 ESR2 (0.98) ESR2ESR1
SCHEMBL121323 0.69 DHODH (0.70) ESR2DHODHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781628-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS Wyeth a Corporation of the State of Delaware (US) 2007-05-09 EP disclosed
WO-2006026316-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2006-03-09 WO disclosed