SCHEMBL7753791

SCHEMBL7753791

COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.38
BCAT2 O15382 7/20 0.38
BCAT1 P54687 7/20 0.38
PGR P06401 1/20 0.37
LRRK2 Q5S007 2/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 1/20 0.35
NR1I2 O75469 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
SCHEMBL7749728 0.89 BCAT2 (0.37) ARBCAT2BCAT1
SCHEMBL7754759 0.88 TRPV4 (0.35) ARBCAT2BCAT1LRRK2
SCHEMBL7753787 0.87 BCAT2 (0.35) ARBCAT2BCAT1LRRK2EGFR
SCHEMBL7754452 0.84 AR (0.33) ARBCAT2BCAT1PGR
SCHEMBL4677779 0.83 PPOX (0.43) BCAT2BCAT1LRRK2
SCHEMBL7755922 0.83 GLA (0.46) ARBCAT2BCAT1
SCHEMBL7753846 0.78 BRD4 (0.35) ARPGR
SCHEMBL4679803 0.75 PPOX (0.44) NR1I2
SCHEMBL4682459 0.75 DHODH (0.34) LRRK2
SCHEMBL31442437 0.75 PPOX (0.44) NR1I2

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-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed