SCHEMBL7753787

SCHEMBL7753787

C#CCOc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.35
BCAT1 P54687 7/20 0.35
AR P10275 3/20 0.33
LRRK2 Q5S007 1/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL7753791 0.87 AR (0.38) BCAT2BCAT1ARLRRK2EGFR
SCHEMBL4248457 0.86 PGK1 (0.35) LRRK2
SCHEMBL7749728 0.85 BCAT2 (0.37) BCAT2BCAT1AR
SCHEMBL7755922 0.84 GLA (0.46) BCAT2BCAT1AR
SCHEMBL7754759 0.83 TRPV4 (0.35) BCAT2BCAT1ARLRRK2
SCHEMBL7754452 0.80 AR (0.33) BCAT2BCAT1AR
SCHEMBL8063471 0.77 PPOX (0.32)
SCHEMBL7753846 0.76 BRD4 (0.35) AR
SCHEMBL5843626 0.76 BCAT2 (0.36) BCAT2BCAT1
SCHEMBL6477318 0.74 PGK1 (0.36)

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