SCHEMBL9710601

SCHEMBL9710601

COc1cc(-n2c(C#N)c(C#N)n(C(F)F)c2=O)c(F)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.32
ATM Q13315 1/20 0.31
PRKDC P78527 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9710717 0.86 PPOX (0.43) BCAT1ALDH1A1LMNAMAPTHPGD
SCHEMBL9710890 0.84 PRKDC (0.35) ATMPRKDCGRIN2DGRIN3BGRIN1
SCHEMBL9710897 0.74 PPOX (0.32)
SCHEMBL9710878 0.72
SCHEMBL9710808 0.72 DHODH (0.32) LMNA
SCHEMBL7881693 0.71 PPOX (0.42)
SCHEMBL9710813 0.70 PPOX (0.45) BCAT1ATMPRKDCALDH1A1LMNA
SCHEMBL7893446 0.70 TSHR (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9710636 0.69 VCAM1 (0.36) ALDH1A1MAPTHTT
SCHEMBL9710645 0.69 PPOX (0.30)

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