SCHEMBL2739043

SCHEMBL2739043

COc1c(N2CC3CCCN(P(=O)(OC)Oc4ccccc4)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
HPGD P15428 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 3/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
OPRM1 P35372 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.49
GSK3B P49841 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL219219 0.93 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL219784 0.93 KDM4E (0.66) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL220817 0.88 KDM4E (0.65) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL2739042 0.88 KDM4E (0.67) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL219607 0.87 KDM4E (0.62) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5594717 0.87 KDM4E (0.66) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL680655 0.86 KDM4E (0.70) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL30388535 0.86 KDM4E (0.70) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14749181 0.86 KDM4E (0.70) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL2738952 0.86 KDM4E (0.65) KDM4EHPGDALDH1A1HSD17B10MEN1

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