SCHEMBL8129396

SCHEMBL8129396

O=c1cc(C(F)(F)F)n2ccnc2n1-c1ccc(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
AOC3 Q16853 4/20 0.35
PDE4D Q08499 3/20 0.35
SLC22A12 Q96S37 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CYP3A4 P08684 1/20 0.31
CLPP Q16740 1/20 0.31
KCNH2 Q12809 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 1/20 0.30
GRM2 Q14416 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
SCHEMBL8129108 0.86 ESR1 (0.36)
SCHEMBL8120597 0.86 SLC22A12 (0.33) SLC22A12HCAR1
SCHEMBL8137614 0.81
SCHEMBL8136011 0.81
SCHEMBL8120290 0.81 AOC3 (0.36) PDE4BAOC3PDE4DSLC22A12HCAR1
SCHEMBL8129510 0.78 ALDH1A1 (0.34) CYP3A4GAA
SCHEMBL8129706 0.77
SCHEMBL7894085 0.76 PPOX (0.40) CYP3A4GAA
SCHEMBL9522971 0.76 SLC22A12 (0.34) PDE4BAOC3PDE4DSLC22A12HCAR1
SCHEMBL7901519 0.76 GAA (0.33) GAAATM

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
US-6165942-A Heterocycle-fused pyrimidinone derivative and herbicidal composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-0970958-A1 HETEROCYCLE-FUSED PYRIMIDINONE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-01-12 EP disclosed