SCHEMBL5670708

SCHEMBL5670708

COc1c(N2CCC(CCNC3CCNCC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.71
KDM4E B2RXH2 9/20 0.65
HPGD P15428 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
PRKD3 O94806 1/20 0.65
ALOX15 P16050 1/20 0.65
OPRM1 P35372 1/20 0.65
CLK2 P49760 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.53
TOP1 P11387 3/20 0.51

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
SCHEMBL8373821 0.89 KCNH2 (0.79) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8372922 0.89 KCNH2 (0.79) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8372921 0.89 KCNH2 (0.79) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL5670694 0.86 KDM4E (0.71) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL5567617 0.86 KDM4E (0.71) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6494001 0.86 KCNH2 (0.85) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL1154931 0.85 KDM4E (0.69) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9538219 0.84 KCNH2 (0.79) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9536953 0.84 KCNH2 (0.79) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9538228 0.84 KCNH2 (0.79) KCNH2KDM4EHPGDALDH1A1HSD17B10

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
EP-1730154-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-12-13 EP disclosed
WO-2005070940-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO disclosed