SCHEMBL9710796

SCHEMBL9710796

CCOC(=O)C(C)Oc1cc(-n2c(C#N)c(C#N)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPOX P50336 6/20 0.55
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHODH Q02127 7/20 0.33
NPC1 O15118 1/20 0.31
RORA P35398 1/20 0.31
NR5A1 Q13285 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
SCHEMBL9710791 0.90 PPOX (0.55) PPOXKDM4EALDH1A1HPGDMAPT
SCHEMBL9710695 0.85 PPOX (0.45) PPOXKDM4EALDH1A1HPGDMAPT
SCHEMBL9710887 0.82 PPOX (0.45) PPOXKDM4EALOX15
SCHEMBL9710651 0.82 PPOX (0.36) PPOX
SCHEMBL9710876 0.82 PPOX (0.54) PPOXKDM4EALDH1A1HPGDMAPT
SCHEMBL9710764 0.81 PPOX (0.36) PPOXDHODH
SCHEMBL29195252 0.81 PPOX (0.55) PPOXKDM4EALDH1A1HPGDMAPT
SCHEMBL10574916 0.80 PPOX (0.55) PPOXDHODH
SCHEMBL9710804 0.79 KDM4E (0.34) PPOXKDM4EALDH1A1MAPTHSD17B10
SCHEMBL9710813 0.79 PPOX (0.45) PPOXALDH1A1MAPTTSHRMAPK1

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