SCHEMBL6987023

SCHEMBL6987023

O=C(O)c1ccnc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.49
MAPK1 P28482 3/20 0.49
MEP1B Q16820 1/20 0.49
ALDH1A1 P00352 9/20 0.49
TAS2R14 Q9NYV8 1/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PDE5A O76074 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
TET3 O43151 1/20 0.44
KDM4A O75164 1/20 0.44

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
SCHEMBL6987025 0.93 USP2 (0.51) USP2MAPK1ALDH1A1HPGDMAPT
SCHEMBL5210601 0.79 KDM4E (0.56) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL6238397 0.77 ALDH1A1 (0.54) USP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6989053 0.73 ALDH1A1 (0.49) USP2ALDH1A1MAPTPTGESALOX5
SCHEMBL6987911 0.73 ALDH1A1 (0.49) ALDH1A1MAPTTSHRKMT2AHSD17B10
SCHEMBL5210605 0.72 CFTR (0.55) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL5211456 0.71 HSD17B10 (0.73) MAPK1ALDH1A1HPGDTSHRMEN1
SCHEMBL5808530 0.71 ALDH1A1 (0.65) ALDH1A1HPGDMAPTKDM4EKDM6B
SCHEMBL5135859 0.70 ALDH1A1 (0.55) USP2MAPK1ALDH1A1TAS2R14HPGD
SCHEMBL6268216 0.70 MAPK1 (0.54) USP2MAPK1MEP1BALDH1A1HPGD

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