SCHEMBL366320

SCHEMBL366320

CCCC(C#N)Oc1ccc2c(C(=O)OC)c3ccccn3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
ALDH1A1 P00352 11/20 0.51
MAPT P10636 10/20 0.51
MEN1 O00255 9/20 0.51
KDM4E B2RXH2 8/20 0.51
PABPC1 P11940 3/20 0.51
SAE1 Q9UBE0 2/20 0.51
UBA2 Q9UBT2 2/20 0.51
APAF1 O14727 1/20 0.51
G6PD P11413 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
NCOA3 Q9Y6Q9 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CASP3 P42574 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
SCHEMBL367027 0.85 KMT2A (0.49) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL366321 0.84 NR4A2 (0.40) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL364972 0.81 KMT2A (0.57) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL367015 0.81 ALDH1A1 (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL365564 0.80 KMT2A (0.56) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL367529 0.79 ALDH1A1 (0.60) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL365514 0.79 KMT2A (0.46) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL366157 0.78 ALDH1A1 (0.62) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL365339 0.78 KMT2A (0.53) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL365366 0.77 KDM4E (0.60) KMT2AALDH1A1MAPTMEN1KDM4E

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