SCHEMBL8993572

SCHEMBL8993572

C=NC(C)Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.38
IDO1 P14902 2/20 0.35
TSHR P16473 1/20 0.35
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
SCN4A P35499 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8440406 0.77 PNMT (0.41) PNMTIDO1TSHRNR3C1PGR
SCHEMBL5018736 0.77 PNMT (0.43) PNMTIDO1TSHRNR3C1PGR
SCHEMBL8711645 0.74 TACR1 (0.36) PNMTIDO1TSHRNR3C1PGR
SCHEMBL29889000 0.73 TSHR (0.42) PNMTIDO1TSHRNR3C1PGR
SCHEMBL8714680 0.73 PNMT (0.67) PNMTSLC6A2SLC6A3
SCHEMBL27490942 0.71 IDO1 (0.40) PNMTIDO1TSHRNR3C1PGR
SCHEMBL5950554 0.68 TSHR (0.42) PNMTIDO1TSHRNR3C1PGR
SCHEMBL16951617 0.68 PNMT (0.37) PNMTIDO1SLC6A2SLC6A3GABRA1
SCHEMBL11571104 0.68 TSHR (0.39) PNMTIDO1TSHRNR3C1PGR
SCHEMBL26354651 0.68 PNMT (0.37) PNMTIDO1TSHRNR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723535-A1 NOVEL 1,3-OXAZIN-4-ONE DERIVATIVES, HERBICIDES CONTAINING THE SAME, AND INTERMEDIATES FOR PREPARING THE SAME RHONE-POULENC AGROCHIMIE SOCIETE ANONYME (FR) 1996-07-31 EP disclosed
EP-0708597-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1996-05-01 EP disclosed
WO-1995010510-A1 NOVEL 1,3-OXAZIN-4-ONE DERIVATIVES, HERBICIDES CONTAINING THE SAME, AND INTERMEDIATES FOR PREPARING THE SAME RHONE-POULENC AGROCHIMIE (FR) 1995-04-20 WO disclosed
WO-1995002329-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1995-01-26 WO disclosed