SCHEMBL9872702

SCHEMBL9872702

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.52
TOP2A P11388 4/20 0.49
TOP2B Q02880 4/20 0.49
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TUBB4A P04350 1/20 0.38
POLB P06746 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL9875270 0.93 GSK3B (0.50) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9873482 0.91 GSK3B (0.52) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9873589 0.87 KDM4E (0.62) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9873617 0.80 KDM4E (0.53) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9872834 0.77 KDM4E (0.71) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9871406 0.74 KDM4E (0.44) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9874575 0.73 GSK3B (0.54) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9874750 0.72 CNR1 (0.45) TOP2ATOP2BKDM4EKMT2ATUBB4A
SCHEMBL9872703 0.72 CNR1 (0.45) TOP2ATOP2BKDM4EKMT2ATUBB4A
SCHEMBL10515012 0.72 TOP2A (0.66) 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