SCHEMBL5795508

SCHEMBL5795508

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
FTO Q9C0B1 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38

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
SCHEMBL5796627 0.92 KIF11 (0.46) KIF11FTOMEN1KMT2AATM
SCHEMBL5798874 0.85 KIF11 (0.45) KIF11FTOMEN1KMT2AATM
SCHEMBL5796618 0.85 KIF11 (0.45) KIF11FTOMEN1KMT2AATM
SCHEMBL5798774 0.84 PARP14 (0.43) KIF11FTOMEN1KMT2AMAPT
SCHEMBL1306405 0.83 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12113454 0.83 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1306406 0.83 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5798821 0.82 MAPT (0.43) KIF11FTOMEN1KMT2AATM
SCHEMBL5798816 0.82 MAPT (0.43) KIF11FTOMEN1KMT2AATM
SCHEMBL5813698 0.82 NOTUM (0.39) KIF11FTOMEN1KMT2AATM

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