SCHEMBL7495679

SCHEMBL7495679

Fc1ccc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC3CCC2C3)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 12/20 0.39
GABBR1 Q9UBS5 12/20 0.39
KDM4E B2RXH2 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33

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
SCHEMBL4817636 0.87 GABBR2 (0.39) GABBR2GABBR1ADORA3ADORA2AADORA1
SCHEMBL7962438 0.86 GABBR2 (0.37) GABBR2GABBR1ADORA3ADORA2AADORA1
SCHEMBL7490647 0.83 EGLN2 (0.39) KDM4E
SCHEMBL6186174 0.83 PDGFRB (0.38) GABBR2GABBR1
SCHEMBL4821434 0.82 CNR1 (0.43) GABBR2GABBR1KDM4E
SCHEMBL7487750 0.81 MAPK1 (0.37) KDM4EADORA3ADORA2AADORA1
SCHEMBL7490009 0.81 KMT2A (0.38) KDM4E
SCHEMBL7496989 0.81 KMT2A (0.38) KDM4E
SCHEMBL6410703 0.80 PDGFRB (0.36) GABBR2GABBR1
SCHEMBL6863776 0.80 GABBR2 (0.37) GABBR2GABBR1KDM4E

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-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP claimed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP claimed
EP-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP disclosed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP disclosed