SCHEMBL14830261

SCHEMBL14830261

COc1c(C(=O)N(CCCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
TSHR P16473 1/20 0.39
CCR2 P41597 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PTGIR P43119 1/20 0.37
LPAR1 Q92633 3/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CDK8 P49336 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDPK1 O15530 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL14830430 0.77 LIPG (0.54) APEX1
SCHEMBL14830487 0.77 TSHR (0.43) TSHRCDK8CLK4TP53MEN1
SCHEMBL9799416 0.73 CDK8 (0.43) TSHRTRPV1PTGIRCHRM5CHRM1
SCHEMBL14829928 0.70 CDK8 (0.41) APEX1TSHRCCR2CDK8CLK4
SCHEMBL14829829 0.69 CDK8 (0.41) APEX1TSHRCDK8CLK4TP53
SCHEMBL14829884 0.67 C5AR1 (0.38) CHRM5CHRM1CHRM3CHRM2SIGMAR1
SCHEMBL14830756 0.64 LIPG (0.62)
SCHEMBL14848190 0.64 NAPRT (0.48) KMT2AHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL6774551 0.63 LMNA (0.55) TSHRLPAR1CDK8CLK4TP53
SCHEMBL11225496 0.62 CHRM5 (0.49) TSHRTRPV1CHRM5CHRM1CHRM3

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-2760834-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013048930-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed