SCHEMBL22832906

SCHEMBL22832906

O=C1c2ccccc2C(=O)N1OCc1nc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
GLS O94925 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
SCHEMBL8819539 0.78 TSHR (0.58) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL13140569 0.75 KMT2A (0.48) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4267841 0.75 KMT2A (0.48) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL10814681 0.74 KMT2A (0.50) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL10813189 0.73 MEN1 (0.46) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL22833022 0.73 MAPT (0.43) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL13545621 0.72 GAA (0.69) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL2219482 0.72 ALDH1A1 (0.58) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL5416914 0.72 HIF1A (0.52) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4279649 0.72 MEN1 (0.48) KMT2AMEN1MAPTGAAALDH1A1

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-2020260857-A1 HYDROXAMATE COMPOUNDS AS ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2020-12-30 WO disclosed
WO-2020260857-A1 HYDROXAMATE COMPOUNDS AS ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2020-12-30 WO disclosed