SCHEMBL365543

SCHEMBL365543

COc1ccc2c(C(=O)N3CCNCC3)c3ccccn3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.53
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
PABPC1 P11940 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
APAF1 O14727 1/20 0.43
ALDH1A1 P00352 1/20 0.43
G6PD P11413 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43

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
SCHEMBL367563 0.90 KDM4E (0.52) RENKDM4EMEN1MAPTPABPC1
SCHEMBL365590 0.88 KDM4E (0.51) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL366309 0.86 KDM4E (0.55) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL367057 0.83 MEN1 (0.46) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL365544 0.81 REN (0.53) REN
SCHEMBL365013 0.80 KDM4E (0.58) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL364593 0.79 KMT2A (0.56) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL365564 0.79 KMT2A (0.56) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL364206 0.77 KMT2A (0.54) KDM4EMEN1MAPTPABPC1KMT2A
SCHEMBL367056 0.76 KDM4E (0.41) RENKDM4EMEN1MAPTPABPC1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed