SCHEMBL8922549

SCHEMBL8922549

CN(C)c1nc(=O)n(-c2cc(OCc3ccccc3)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PPOX P50336 4/20 0.39
KMO O15229 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PKM P14618 1/20 0.38
MAPK14 Q16539 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
P2RX7 Q99572 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G7 Q13093 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL8924769 0.82 PGK1 (0.36) PPOXMAOB
SCHEMBL8926019 0.77 PPOX (0.40) RHEBL3MBTL1PPOXKMOMAPK14
SCHEMBL8925114 0.76 BRD9 (0.30)
SCHEMBL1527259 0.71 BCAT1 (0.39) RHEBL3MBTL1PPOXMAPK14MRGPRX4
SCHEMBL6637976 0.70 PLA2G7 (0.36) RHEBPPOXMAOAMAOBPKM
SCHEMBL8958664 0.70 PPOX (0.45) RHEBL3MBTL1PPOXKMOMAPK14
SCHEMBL10575906 0.70 PPOX (0.35) RHEBL3MBTL1PPOXPKMALDH1A1
SCHEMBL9118892 0.69 PPOX (0.43) L3MBTL1PPOXKMOMAPK14MRGPRX4
SCHEMBL6642464 0.69 MEN1 (0.35) RHEBL3MBTL1PPOXMAPK14ALDH1A1
SCHEMBL6639038 0.69 MEN1 (0.35) RHEBL3MBTL1PPOXALDH1A1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602077-A CONTROLLING GROWTH OF UNDESIRED VEGETATION IN PLANTATION CROPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-11 US disclosed
US-5567670-A TETRAHYDROTRIAZINE-DIONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-22 US disclosed
WO-1993014073-A1 PYRIMIDIN COMPOUNDS USEFUL AS HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-22 WO disclosed