SCHEMBL8489010

SCHEMBL8489010

Cc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.78
TOP2B Q02880 6/20 0.78
KDM1A O60341 9/20 0.55
PARP1 P09874 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL8484693 0.88 TOP2A (0.73) TOP2ATOP2BKDM1A
SCHEMBL8489028 0.88 TOP2A (0.73) TOP2ATOP2BKDM1AMEN1POLB
SCHEMBL1865418 0.88 TOP2A (1.00) TOP2ATOP2BKDM1AMEN1POLB
SCHEMBL29536689 0.88 TOP2A (1.00) TOP2ATOP2BKDM1AMEN1POLB
SCHEMBL3985902 0.87 TOP2A (0.71) TOP2ATOP2BKDM1APARP1POLB
SCHEMBL8488702 0.84 TOP2A (0.67) TOP2ATOP2BKDM1APARP1CYP3A4
SCHEMBL8489781 0.84 TOP2A (0.67) TOP2ATOP2BKDM1APARP1CYP3A4
SCHEMBL7564567 0.84 TOP2A (0.82) TOP2ATOP2BKDM1AMEN1KMT2A
SCHEMBL8489125 0.84 TOP2A (0.66) TOP2ATOP2BKDM1APARP1CYP3A4
SCHEMBL8485322 0.83 TOP2A (0.69) TOP2ATOP2BKDM1AMEN1POLB

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-5939428-A ANTITUMOR AGENTS AND ANTIGROWTH AGENTS FOR CELLS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 1999-08-17 US disclosed