SCHEMBL4665653

SCHEMBL4665653

COC(=O)Oc1cc(Br)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 2/20 0.39
HSD17B2 P37059 2/20 0.36
HSD17B1 P14061 1/20 0.36
NOTUM Q6P988 2/20 0.35
PIM1 P11309 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SOS1 Q07889 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL3089100 0.89 CUL4A (0.38) CUL4AHSD17B2HSD17B1NOTUMPIM1
SCHEMBL16372082 0.84 HSD17B2 (0.47) CUL4AHSD17B2HSD17B1NOTUMPDE3B
SCHEMBL16612698 0.78 CUL4A (0.40) CUL4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4668796 0.77 SOS1 (0.49) HSD17B2HSD17B1NOTUMSOS1KDM4E
SCHEMBL16372098 0.76 CUL4A (0.39) CUL4AHSD17B2HSD17B1KDM4EHSD17B10
SCHEMBL16372027 0.74 HSD17B1 (0.33) HSD17B2HSD17B1PDE3BPDE3AKDM4E
SCHEMBL3088157 0.72 HSD17B2 (0.48) HSD17B2HSD17B1
SCHEMBL4867699 0.70 ENPP3 (0.39) HSD17B2HSD17B1PIM1PDE3BPDE3A
SCHEMBL22867444 0.69 KDM4E (0.43) HSD17B2HSD17B1NOTUMKDM4EHSD17B10
SCHEMBL19438437 0.69 CYP2C19 (0.46) CUL4ANOTUMKDM4EHSD17B10HPGD

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-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-1987717-A1 Pyridon carboxamides, agents containing these but not impacting useful plants and method for their manufacture and application Bayer CropScience AG (DE) 2008-11-05 EP disclosed