SCHEMBL6170693

SCHEMBL6170693

COc1ccccc1Oc1ccc(-c2nc(-c3ccccc3F)co2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.55
ENPP3 O14638 3/20 0.51
ENPP1 P22413 3/20 0.51
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
DHPS P49366 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL5836665 0.89 ENPP3 (0.61) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL6170726 0.86 MMP13 (0.50) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL6170686 0.85 MAPT (0.47) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL5836726 0.81 MMP13 (0.55) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL6170731 0.77 MMP13 (0.44) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL5836663 0.77 MMP13 (0.50) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL5835666 0.71 MMP13 (1.00) MMP13
SCHEMBL5836271 0.71 ENPP3 (0.89) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL5836404 0.71 MMP13 (0.62) MMP13ENPP3ENPP1RAB9ANPC1
SCHEMBL8399604 0.68 ENPP3 (0.84) ENPP3ENPP1RAB9ANPC1SMN1; SMN2

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-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 WO disclosed