SCHEMBL5808192

SCHEMBL5808192

COC(=O)c1ccc(/C=C(/CCOc2cccc3ccccc23)CN2C(=O)C(=O)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TP53 P04637 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.38
AGTR1 P30556 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 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
SCHEMBL5808195 1.00 MAPT (0.42) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5808252 0.91 PIN1 (0.42) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5808253 0.91 PIN1 (0.42) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5812692 0.90 POLB (0.47) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL5812686 0.90 POLB (0.47) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL5812055 0.90 P2RX3 (0.45) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5807767 0.90 P2RX3 (0.45) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5796248 0.81 TDP1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5796244 0.81 TDP1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5813909 0.80 PIN1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E

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