SCHEMBL4670519

SCHEMBL4670519

COc1ccc(-c2c(OCc3nnn[nH]3)ccc3cc(C(N)=O)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.41
PLAT P00750 1/20 0.41
CHEK2 O96017 7/20 0.39
MAP4K4 O95819 1/20 0.39
HPGDS O60760 1/20 0.38
MET P08581 1/20 0.37
SYK P43405 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
JAK2 O60674 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4670260 0.91 CHEK2 (0.38) CHEK2SYKPARP10JAK2MAPK1
SCHEMBL4675730 0.89 CHEK2 (0.37) CHEK2MAP4K4MEN1MAPTKMT2A
SCHEMBL4673486 0.89 MET (0.39) PLAUCHEK2METSYKPARP1
SCHEMBL4672813 0.88 XDH (0.35) TP53MAPT
SCHEMBL4672855 0.80 NCEH1 (0.38) MEN1MAPTKMT2AMAPK1
SCHEMBL4674152 0.79 PLAU (0.45) PLAUPLATCHEK2MAP4K4HPGDS
SCHEMBL4673753 0.78 PARP10 (0.43) CHEK2HPGDSPARP10MAPT
SCHEMBL4670264 0.75 ROCK1 (0.36) MEN1MAPTKMT2AMAPK1
SCHEMBL4672254 0.73 PARP10 (0.51) PLAUPLATCHEK2MAP4K4HPGDS
SCHEMBL4675739 0.73 ROCK1 (0.36) MEN1MAPTKMT2AMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed