SCHEMBL365013

SCHEMBL365013

COc1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 5/20 0.58
PABPC1 P11940 2/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
CASP3 P42574 1/20 0.58
NCOA1 Q15788 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
ALDH1A1 P00352 5/20 0.49
SAE1 Q9UBE0 2/20 0.49
UBA2 Q9UBT2 2/20 0.49
APAF1 O14727 1/20 0.49
G6PD P11413 1/20 0.49
CACNA1B Q00975 1/20 0.49

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
SCHEMBL364593 0.88 KMT2A (0.56) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL365564 0.88 KMT2A (0.56) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL364206 0.85 KMT2A (0.54) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL366827 0.83 KMT2A (0.45) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL364968 0.83 KDM4E (0.70) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL367563 0.83 KDM4E (0.52) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL10274438 0.83 KMT2A (0.54) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL365590 0.82 KDM4E (0.51) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL366361 0.82 S1PR3 (0.52) KDM4EKMT2AMEN1MAPTPABPC1
SCHEMBL365543 0.80 REN (0.53) KDM4EKMT2AMEN1MAPTPABPC1

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