SCHEMBL6990533

SCHEMBL6990533

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccnc(C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 11/20 0.53
SLC2A4 P14672 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
SLC2A8 Q9NY64 1/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46

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
SCHEMBL6990114 0.87 LPAR1 (0.49) SLC2A1SLC2A4MEN1KMT2ASLC2A8
SCHEMBL6990355 0.86 SLC2A1 (0.61) SLC2A1SLC2A4SLC2A8LPAR1LPAR5
SCHEMBL3893577 0.86 SLC2A1 (0.52) SLC2A1SLC2A4MEN1KMT2AMAPT
SCHEMBL25358359 0.86 SLC2A1 (0.51) SLC2A1SLC2A4MEN1KMT2AMAPT
SCHEMBL13677675 0.86 ALDH1A1 (0.60) SLC2A1SLC2A4MEN1KMT2AMAPT
SCHEMBL6992829 0.85 MAPT (0.46) SLC2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL6991932 0.82 MAPT (0.41) SLC2A1SLC2A4MEN1KMT2AMAPT
SCHEMBL6991899 0.82 MAPT (0.51) SLC2A1KMT2AMAPTALDH1A1
SCHEMBL5210605 0.82 CFTR (0.55) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL6238400 0.82 SLC2A1 (0.46) SLC2A1SLC2A4MEN1KMT2AMAPT

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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed