SCHEMBL9710834

SCHEMBL9710834

C#CCOc1cc(-n2c(C#N)c3n(c2=O)CCCCC3)c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 11/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
RORC P51449 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
SCHEMBL9710848 0.99 PPOX (0.37) PPOXALDH1A1TSHRGAAPPARG
SCHEMBL9710880 0.92 PPOX (0.38) PPOXALDH1A1GAA
SCHEMBL9710784 0.86 PPOX (0.39) PPOX
SCHEMBL9710809 0.85 PPOX (0.44) PPOXALDH1A1TSHRPPARGRORC
SCHEMBL9710881 0.85 PPOX (0.51) PPOX
SCHEMBL9710798 0.84 PPOX (0.44) PPOXALDH1A1TSHRPPARGRORC
SCHEMBL9710825 0.84 PDE3B (0.35) ALDH1A1GAAPPARGRORC
SCHEMBL9710681 0.83 PPOX (0.39) PPOX
SCHEMBL9710757 0.82 PPOX (0.34) PPOX
SCHEMBL9710733 0.81 PPOX (0.53) PPOXALDH1A1TSHRGAA

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
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed