SCHEMBL8484693

SCHEMBL8484693

CN(C)c1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.73
TOP2B Q02880 6/20 0.73
KDM1A O60341 13/20 0.50

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
SCHEMBL8489010 0.88 TOP2A (0.78) TOP2ATOP2BKDM1A
SCHEMBL8489028 0.85 TOP2A (0.73) TOP2ATOP2BKDM1A
SCHEMBL1865418 0.85 TOP2A (1.00) TOP2ATOP2BKDM1A
SCHEMBL29536689 0.85 TOP2A (1.00) TOP2ATOP2BKDM1A
SCHEMBL8489125 0.85 TOP2A (0.66) TOP2ATOP2BKDM1A
SCHEMBL3985902 0.84 TOP2A (0.71) TOP2ATOP2BKDM1A
SCHEMBL8489781 0.82 TOP2A (0.67) TOP2ATOP2BKDM1A
SCHEMBL8488702 0.82 TOP2A (0.67) TOP2ATOP2BKDM1A
SCHEMBL7564567 0.81 TOP2A (0.82) TOP2ATOP2BKDM1A
SCHEMBL8485322 0.81 TOP2A (0.69) TOP2ATOP2BKDM1A

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