SCHEMBL8624455

SCHEMBL8624455

COc1c(C2CCNCC2)c(F)cc2c(=O)c(C(=O)OS(C)(=O)=O)cn(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KCNH2 Q12809 3/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 1/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
OPRM1 P35372 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 2/20 0.44
LMNA P02545 2/20 0.41
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL8624450 0.89 KDM4E (0.58) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL8628381 0.82 KDM4E (0.47) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL8627300 0.78 KDM4E (0.60) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL14564811 0.77 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9773672 0.76 KCNH2 (0.55) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL4364273 0.74 KCNH2 (0.55) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9078435 0.74 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL5792882 0.74 GSK3B (0.55) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL27002955 0.74 KDM4E (0.74) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9731260 0.73 TOP2A (0.55) KDM4EHPGDALDH1A1KCNH2HSD17B10

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-5776948-A BACTERICIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-07-07 US disclosed
EP-0664288-A1 FLUOROQUINOLINE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-07-26 EP disclosed