SCHEMBL365934

SCHEMBL365934

O=C(O)c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
IDO1 P14902 1/20 0.44
PTGS2 P35354 1/20 0.43
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
EGFR P00533 2/20 0.42
ALDH1A1 P00352 3/20 0.40
SRC P12931 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
G6PD P11413 1/20 0.40
PABPC1 P11940 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL366810 0.91 PTGS2 (0.45) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL365258 0.90 KDM4E (0.42) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL366875 0.90 EGFR (0.42) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL366370 0.86 EGFR (0.43) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL367204 0.86 RORC (0.43) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL364338 0.86 MAPT (0.47) KDM4EIDO1EGFRALDH1A1SRC
SCHEMBL365911 0.86 CES1 (0.42) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL366887 0.84 KDM4E (0.56) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL371112 0.83 IDO1 (0.51) KDM4EIDO1PTGS2FNTAFNTB
SCHEMBL365908 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDPARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed