SCHEMBL13765103

SCHEMBL13765103

Bc1cccc(COc2ncc(F)c(N)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
RXRA P19793 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
MPO P05164 1/20 0.39
MGMT P16455 1/20 0.39
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
DHFR P00374 1/20 0.36
DCPS Q96C86 1/20 0.36
DCK P27707 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL13529629 0.89 MAOB (0.52) MAOBMPOMGMTIDO1AGXT
SCHEMBL13530023 0.86 MAOB (0.42) MAOBRXRAGRIN1GRIN2BMPO
SCHEMBL13530024 0.85 DHFR (0.47) MAOBRXRAGRIN1GRIN2BMPO
SCHEMBL13529790 0.84 MAOB (0.54) MAOBIDO1
SCHEMBL13529656 0.84 IDO1 (0.46) MAOBRXRAGRIN1GRIN2BMPO
SCHEMBL13530100 0.84 DHFR (0.49) MAOBMPOIDO1AGXTDHFR
SCHEMBL13529494 0.84 SYK (0.42) MAOBRXRAGRIN1GRIN2BMPO
SCHEMBL13529664 0.84 RXRA (0.46) MAOBRXRAGRIN1GRIN2BIDO1
SCHEMBL3174526 0.84 MAOB (0.48) MAOBRXRAGRIN1GRIN2BIDO1
SCHEMBL14730552 0.83 RXRA (0.40) MAOBRXRAGRIN1GRIN2BMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562164-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
EP-2562165-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
EP-2562166-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO disclosed