SCHEMBL2738945

SCHEMBL2738945

COc1c(N2CCN(P(=O)(O)OC)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 5/20 0.69
HPGD P15428 4/20 0.69
LMNA P02545 2/20 0.69
KCNH2 Q12809 4/20 0.69
TDP1 Q9NUW8 3/20 0.69
POLB P06746 3/20 0.69
HSD17B10 Q99714 2/20 0.69
OPRM1 P35372 2/20 0.69
PRKD3 O94806 1/20 0.69
ALOX15 P16050 1/20 0.69
CLK2 P49760 1/20 0.69
CLK4 Q9HAZ1 1/20 0.69
CYP2C19 P33261 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NPSR1 Q6W5P4 1/20 0.62
ATM Q13315 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CHRM2 P08172 1/20 0.53

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
SCHEMBL2738948 0.94 KDM4E (0.71) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL2738950 0.93 KDM4E (0.70) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL2738951 0.92 KDM4E (0.67) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL29351326 0.88 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL6832069 0.88 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL219386 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDLMNAKCNH2
Hydrochloric Acid SCHEMBL9773650 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL2738952 0.87 KDM4E (0.65) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL30564254 0.85 KDM4E (0.81) KDM4EALDH1A1HPGDLMNAKCNH2
SCHEMBL220817 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDLMNAKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed