SCHEMBL6573647

SCHEMBL6573647

CNC(=O)C(C(N)=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.47
MMP9 P14780 1/20 0.47
EPHX1 P07099 1/20 0.46
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 7/20 0.45
KCNH2 Q12809 5/20 0.45
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 3/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AOC3 Q16853 1/20 0.42

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
SCHEMBL6575278 1.00 UGT2B7 (0.47) UGT2B7MMP9EPHX1SLC6A2SLC6A4
SCHEMBL5716820 0.84 UGT2B7 (0.53) UGT2B7MMP9EPHX1SLC6A2SLC6A4
SCHEMBL6446425 0.80 CTSS (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL29941609 0.80 UGT2B7 (0.58) UGT2B7MMP9EPHX1
SCHEMBL1137612 0.80 UGT2B7 (0.58) UGT2B7MMP9EPHX1
SCHEMBL6162357 0.79 LMNA (0.51) EPHX1SLC6A3SMN1; SMN2
SCHEMBL9055207 0.79 LMNA (0.51) EPHX1SLC6A3SMN1; SMN2
Hydrochloric Acid SCHEMBL5969924 0.78 UGT2B7 (0.56) UGT2B7MMP9EPHX1SLC6A2SLC6A4
SCHEMBL4958684 0.77 AOC3 (0.49) UGT2B7MMP9EPHX1SLC6A2SLC6A4
SCHEMBL6445401 0.75 TNF (0.38) MMP9EPHX1SLC6A2SLC6A4SLC6A3

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-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed