SCHEMBL5799100

SCHEMBL5799100

COc1cccc(NCC(=Cc2ccc(C(=O)O)cc2)COc2cccc3c2[nH]c2ccccc23)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ATM Q13315 1/20 0.39
PARP14 Q460N5 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
P2RX3 P56373 1/20 0.36
MCL1 Q07820 1/20 0.35
HPGD P15428 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 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
SCHEMBL5798873 0.86 PARP14 (0.41) KMT2AMEN1ATMPARP14SMN1; SMN2
SCHEMBL5797058 0.86 PARP14 (0.43) KMT2AMEN1ATMPARP14SMN1; SMN2
SCHEMBL5799313 0.84 KMT2A (0.38) KMT2AMEN1ATMPARP14SMN1; SMN2
SCHEMBL5796179 0.82 MEN1 (0.39) KMT2AMEN1ATMPARP14SMN1; SMN2
SCHEMBL5798884 0.80 PARP14 (0.37) KMT2AMEN1PARP14SMN1; SMN2MAPT
SCHEMBL5798816 0.79 MAPT (0.43) KMT2AMEN1ATMPARP14MAPT
SCHEMBL5798821 0.79 MAPT (0.43) KMT2AMEN1ATMPARP14MAPT
SCHEMBL5798774 0.79 PARP14 (0.43) KMT2AMEN1PARP14SMN1; SMN2MAPT
SCHEMBL5824180 0.79 HDAC6 (0.40) KMT2AMEN1SMN1; SMN2MAPTMAPK1
SCHEMBL5799274 0.78 HDAC1 (0.49) KMT2AMEN1PARP14HDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed