SCHEMBL367028

SCHEMBL367028

COC(=O)c1c2ccccc2n2cc(OC(C)C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 2/20 0.39
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL366158 0.88 KDM4E (0.43) KMT2AMEN1IDO1ALDH1A1KDM4E
SCHEMBL366321 0.85 NR4A2 (0.40) NR4A2KMT2AMEN1KDM4EGAA
SCHEMBL367027 0.83 KMT2A (0.49) KMT2AMEN1IDO1ALDH1A1KDM4E
SCHEMBL365565 0.81 KMT2A (0.52) NR4A2KMT2AMEN1IDO1ALDH1A1
SCHEMBL364973 0.81 KMT2A (0.42) NR4A2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL365340 0.80 NR4A2 (0.39) NR4A2KMT2AMEN1IDO1ALDH1A1
SCHEMBL367530 0.80 POLB (0.42) KMT2AMEN1IDO1ALDH1A1KDM4E
SCHEMBL365515 0.79 NR4A2 (0.35) NR4A2KMT2AMEN1IDO1GAA
SCHEMBL364860 0.78 KMT2A (0.39) NR4A2KMT2AMEN1IDO1ALDH1A1
SCHEMBL365367 0.78 ALDH1A1 (0.42) KMT2AMEN1IDO1ALDH1A1KDM4E

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