SCHEMBL11340545

SCHEMBL11340545

O=C(CCC1(CO)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.61
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
NR4A2 P43354 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL11332855 0.68 CYP3A4 (0.51) KDM4EGSK3AGSK3BCYP2C19TDP1
SCHEMBL719034 0.67 NR4A2 (0.85) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL30121738 0.67 NR4A2 (0.85) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL79657 0.65 TDP1 (0.67) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL27719889 0.64 TDP1 (0.64) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL7068671 0.63 TDP1 (0.95) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL1052631 0.63 TDP1 (0.86) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL4731087 0.63 KDM4E (0.77) KDM4EPKMCYP2C19MAPTLMNA
SCHEMBL94886 0.62 TDP1 (0.75) KDM4EGSK3BCYP2C19TDP1MAPT
SCHEMBL8519287 0.61 TDP1 (1.00) KDM4ECYP2C19TDP1MAPTL3MBTL1

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
US-4273873-A BONDING SYNTHETIC FIBRINOLYTIC COMPOUND OR ENZYME UNITIKA LTD. (JP) 1981-06-16 US disclosed