SCHEMBL5799313

SCHEMBL5799313

COc1ccc(NCC(=Cc2ccc(C(=O)O)cc2)COc2cccc3c2[nH]c2ccccc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
ATM Q13315 1/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
P2RX3 P56373 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PADI4 Q9UM07 1/20 0.35
OXTR P30559 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PABPC1 P11940 3/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL5799054 0.94 FLT3 (0.38) KMT2AMEN1ATMHDAC1NPC1
SCHEMBL5795517 0.92 P2RX3 (0.42) HDAC1NPC1RAB9AP2RX3PARP14
SCHEMBL5795513 0.92 P2RX3 (0.42) HDAC1NPC1RAB9AP2RX3PARP14
SCHEMBL5797058 0.89 PARP14 (0.43) KMT2AMEN1ATMHDAC1RAB9A
SCHEMBL5798873 0.88 PARP14 (0.41) KMT2AMEN1ATMHDAC1NPC1
SCHEMBL5798884 0.87 PARP14 (0.37) KMT2AMEN1NPC1RAB9ATDO2
SCHEMBL5824180 0.84 HDAC6 (0.40) KMT2AMEN1HDAC1NPC1RAB9A
SCHEMBL5799100 0.84 KMT2A (0.39) KMT2AMEN1ATMHDAC1P2RX3
SCHEMBL5798774 0.83 PARP14 (0.43) KMT2AMEN1HDAC1NPC1RAB9A
SCHEMBL5813698 0.82 NOTUM (0.39) KMT2AMEN1ATMNPC1RAB9A

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