SCHEMBL5813698

SCHEMBL5813698

COC(=O)c1ccc(C=C(CNc2cccnc2)COc2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.39
KIF11 P52732 1/20 0.37
FTO Q9C0B1 1/20 0.37
FLT3 P36888 1/20 0.36
PARP14 Q460N5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
PDE5A O76074 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
SCHEMBL5798884 0.92 PARP14 (0.37) NOTUMPARP14MAPTLMNAMAPK1
SCHEMBL5796106 0.90 P2RX3 (0.43) NOTUMPARP14NPC1
SCHEMBL5799054 0.89 FLT3 (0.38) KIF11FTOFLT3PARP14ALDH1A1
SCHEMBL5798774 0.86 PARP14 (0.43) KIF11FTOFLT3PARP14ALDH1A1
SCHEMBL5798821 0.85 MAPT (0.43) KIF11FTOFLT3PARP14ALDH1A1
SCHEMBL5798816 0.85 MAPT (0.43) KIF11FTOFLT3PARP14ALDH1A1
SCHEMBL5796627 0.83 KIF11 (0.46) KIF11FTOFLT3PARP14ALDH1A1
SCHEMBL5799313 0.82 KMT2A (0.38) PARP14ALDH1A1LMNANPC1RAB9A
SCHEMBL5795508 0.82 KIF11 (0.44) KIF11FTOFLT3PARP14ALDH1A1
SCHEMBL5795513 0.81 P2RX3 (0.42) PARP14NPC1RAB9A

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