SCHEMBL9300352

SCHEMBL9300352

CCOC(=O)Cc1c(N)cc(CO)cc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.48
TOP2B Q02880 7/20 0.48
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
KDM1A O60341 1/20 0.43
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 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
SCHEMBL9300665 0.90 TOP2A (0.52) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300838 0.89 TOP2A (0.54) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9301382 0.89 TOP2A (0.53) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300208 0.87 KDM4E (0.48) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300661 0.81 TOP2A (0.47) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300832 0.80 TOP2A (0.47) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300903 0.80 TOP2A (0.51) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300532 0.80 TOP2A (0.62) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9299718 0.79 TOP2A (0.64) TOP2ATOP2BKDM4EGLAPOLB
SCHEMBL9300657 0.79 TOP2A (0.53) TOP2ATOP2BKDM4EGLAPOLB

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-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US claimed