SCHEMBL358633

SCHEMBL358633

COC(=O)c1c2ccccc2n2cc(OC(CC(C)=O)CN(C)C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
NR4A2 P43354 3/20 0.37
GAA P10253 1/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL365429 0.92 TSHR (0.37) KMT2ANR4A2GAALMNAMEN1
SCHEMBL366048 0.91 NR4A2 (0.36) KMT2ANR4A2GAALMNAMEN1
SCHEMBL365515 0.86 NR4A2 (0.35) KMT2ANR4A2GAALMNAMEN1
SCHEMBL358632 0.85 KMT2A (0.47) KMT2AGAALMNAMEN1SMN1; SMN2
SCHEMBL364860 0.80 KMT2A (0.39) KMT2ANR4A2GAALMNAMEN1
SCHEMBL365565 0.79 KMT2A (0.52) KMT2ANR4A2GAALMNAMEN1
SCHEMBL364924 0.78 ALDH1A1 (0.40) KMT2AGAALMNAMEN1SMN1; SMN2
SCHEMBL366161 0.78 ELANE (0.37) KMT2ANR4A2GAALMNAMEN1
SCHEMBL365428 0.77 KMT2A (0.47) KMT2AGAALMNAMEN1SMN1; SMN2
SCHEMBL365340 0.77 NR4A2 (0.39) KMT2ANR4A2GAALMNAMEN1

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