SCHEMBL9900679

SCHEMBL9900679

N#Cc1cccc(CCI)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GLA P06280 1/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CNR1 P21554 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MEP1A Q16819 1/20 0.43

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
SCHEMBL2154019 0.87 GLA (0.53) ALDH1A1GLAKCNJ1KCNH2FFAR1
SCHEMBL6950852 0.86 TSHR (0.52) ALDH1A1GLAKCNJ1KCNH2FFAR1
SCHEMBL11034403 0.84 GLA (0.51) GLAKCNJ1KCNH2FFAR1FFAR4
SCHEMBL28248372 0.83 HTR2B (0.54) ALDH1A1GLAKCNJ1KCNH2FFAR1
SCHEMBL28865565 0.83 HTR2B (0.50) ALDH1A1GLAKCNJ1KCNH2FFAR1
SCHEMBL8226207 0.83 GLA (0.50) ALDH1A1GLAFFAR1FFAR4CYP19A1
SCHEMBL6962952 0.82 DRD2 (0.49) ALDH1A1ALOX15GLAKCNJ1KCNH2
SCHEMBL24358855 0.82 HTR2B (0.49) HSD17B10GLAKCNJ1KCNH2FFAR1
SCHEMBL29732423 0.82 HTR2B (0.49) HSD17B10GLAKCNJ1KCNH2FFAR1
SCHEMBL6960752 0.81 FAAH (0.50) ALDH1A1ALOX15HSD17B10GLAKCNJ1

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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
CN-103347864-A For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions GLAXO GROUP LTD 2013-10-09 CN disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed