SCHEMBL9872970

SCHEMBL9872970

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.60
TOP2A P11388 3/20 0.56
TOP2B Q02880 3/20 0.56
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 1/20 0.51
AADAT Q8N5Z0 2/20 0.49
POLB P06746 2/20 0.49
CACNA1F O60840 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALB P02768 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47

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
SCHEMBL9874833 0.90 TOP2A (0.56) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL6007708 0.89 GSK3B (0.64) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL6007712 0.89 GSK3B (0.64) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL30306157 0.89 GSK3B (0.64) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL4747750 0.87 GSK3B (0.62) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL26193679 0.84 GSK3B (0.59) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL26200350 0.84 GSK3B (0.62) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9873852 0.83 KDM4E (0.68) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL15101026 0.82 GSK3B (0.74) GSK3BTOP2ATOP2B
Hydrochloric Acid SCHEMBL9873319 0.82 KDM4E (0.67) GSK3BTOP2ATOP2BKDM4EKMT2A

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