SCHEMBL9547312

SCHEMBL9547312

CC(Br)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.65
TOP2B Q02880 8/20 0.65
KDM1A O60341 7/20 0.49
POLB P06746 4/20 0.46
RAD52 P43351 4/20 0.46
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GFER P55789 2/20 0.43
MEN1 O00255 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL9547317 0.82 TOP2A (0.60) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9547326 0.80 TOP2A (0.66) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL8490361 0.79 TOP2A (0.80) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9301490 0.79 TOP2A (0.63) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL29536689 0.79 TOP2A (1.00) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL1865418 0.79 TOP2A (1.00) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9547322 0.78 TOP2A (0.54) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL18407164 0.78 TOP2A (0.73) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9300004 0.78 TOP2A (0.70) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL8489520 0.77 TOP2A (1.00) TOP2ATOP2BKDM1APOLBRAD52

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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed