SCHEMBL8993595

SCHEMBL8993595

[CH2]C(CC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
ACP3 P15309 2/20 0.45
CES2 O00748 1/20 0.45
MC4R P32245 1/20 0.45
SLC6A4 P31645 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19593126 0.83 PNMT (0.54) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL13951834 0.83 PNMT (0.54) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL16954526 0.83 PNMT (0.54) PNMTIDO1TDO2HTR2AHTR2B
SCHEMBL25894263 0.81 PNMT (0.53) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL16951957 0.81 PNMT (0.57) PNMTIDO1TDO2HTR2AHTR2B
SCHEMBL24779791 0.81 PNMT (0.53) PNMTMEN1ALDH1A1CYP1A2POLB
Ammonia Solution, Strong SCHEMBL6000923 0.81 PNMT (0.53) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL10274869 0.81 PNMT (0.53) PNMTMEN1ALDH1A1CYP1A2POLB
SCHEMBL16955388 0.81 PNMT (0.51) PNMTIDO1TDO2HTR2AHTR2B
SCHEMBL7464369 0.80 SPHK2 (0.47) PNMTMEN1ALDH1A1CYP1A2POLB

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
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
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