SCHEMBL9873669

SCHEMBL9873669

CC1COc2c(C3CC3)c(F)c(NCc3ccccc3)c3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.60
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALB P02768 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9874575 0.83 GSK3B (0.54) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9872970 0.81 GSK3B (0.60) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9874833 0.81 TOP2A (0.56) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9873482 0.79 GSK3B (0.52) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL1345178 0.79 GSK3B (0.51) GSK3BTOP2ATOP2B
SCHEMBL10550876 0.75 GSK3B (0.63) GSK3BTOP2ATOP2BKMT2A
SCHEMBL12160557 0.75 GSK3B (1.00) GSK3B
SCHEMBL8231409 0.75 GSK3B (1.00) GSK3B
SCHEMBL12130865 0.75 GSK3B (1.00) GSK3B
SCHEMBL15101026 0.72 GSK3B (0.74) GSK3BTOP2ATOP2B

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