SCHEMBL9873482

SCHEMBL9873482

CC1COc2c(C3(NC(=O)OCc4ccccc4)CC3)c(F)c(NCc3ccccc3)c3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.52
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42

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
SCHEMBL9872702 0.91 GSK3B (0.52) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL9875270 0.88 GSK3B (0.50) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL9873589 0.83 KDM4E (0.62) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL9873669 0.79 GSK3B (0.60) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL9873617 0.76 KDM4E (0.53) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL1345178 0.72 GSK3B (0.51) GSK3BTOP2ATOP2B
SCHEMBL9871406 0.71 KDM4E (0.44) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL9874575 0.70 GSK3B (0.54) GSK3BKDM4EKMT2ATOP2ATOP2B
SCHEMBL8231409 0.69 GSK3B (1.00) GSK3B
SCHEMBL12130953 0.69 GSK3B (0.43) GSK3BKDM4E

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed