SCHEMBL367563

SCHEMBL367563

COc1ccc2c(C(=O)N3CCCC3)c3ccccn3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
PABPC1 P11940 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
NCOA1 Q15788 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
CES2 O00748 1/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 7/20 0.45
APAF1 O14727 1/20 0.45
G6PD P11413 1/20 0.45
CACNA1B Q00975 1/20 0.45

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
SCHEMBL365590 0.99 KDM4E (0.51) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL365543 0.90 REN (0.53) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL366309 0.90 KDM4E (0.55) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL367057 0.86 MEN1 (0.46) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL365013 0.83 KDM4E (0.58) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL365564 0.82 KMT2A (0.56) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL364593 0.82 KMT2A (0.56) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL367564 0.80 HPGD (0.50) KDM4EMEN1KMT2ALMNATDP1
SCHEMBL364206 0.80 KMT2A (0.54) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL365591 0.79 HPGD (0.49) KDM4EMEN1KMT2ALMNATDP1

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