SCHEMBL9710808

SCHEMBL9710808

CCn1c(C#N)c(C#N)n(-c2cc(OC(C)C)c(Br)cc2F)c1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.32
P2RX3 P56373 5/20 0.32
PPOX P50336 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9710897 0.85 PPOX (0.32) PPOX
SCHEMBL9710890 0.72 PRKDC (0.35) PPOXLMNA
SCHEMBL9710601 0.72 BCAT1 (0.32) LMNA
SCHEMBL9710695 0.72 PPOX (0.45) P2RX3PPOXKDM4E
SCHEMBL9710836 0.70 PPOX (0.35) DHODHPPOX
SCHEMBL9710791 0.68 PPOX (0.55) DHODHP2RX3PPOXKDM4E
SCHEMBL9710744 0.67 GSK3A (0.40) KDM4ELMNA
SCHEMBL7881722 0.67 BCAT1 (0.32) DHODHPPOX
SCHEMBL7891019 0.66 JAK2 (0.35) DHODHPPOX
SCHEMBL9711090 0.65 PGK1 (0.37) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO claimed