SCHEMBL9547265

SCHEMBL9547265

OCc1cc(NCCCI)c(CCCI)c(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.46
TOP2B Q02880 5/20 0.46
POLB P06746 5/20 0.45
RAD52 P43351 4/20 0.45
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
GFER P55789 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 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
SCHEMBL9547245 0.82 TOP2A (0.48) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9301604 0.82 TOP2B (0.45) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9299718 0.80 TOP2A (0.64) TOP2ATOP2BPOLBRAD52KDM4E
SCHEMBL9300639 0.80 TOP2A (0.60) TOP2ATOP2BPOLBRAD52KDM4E
SCHEMBL9301729 0.79 TOP2B (0.45) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9300965 0.79 TOP2A (0.45) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9547292 0.79 POLB (0.46) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9300764 0.78 TOP2B (0.53) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9301922 0.77 TOP2A (0.43) TOP2ATOP2BPOLBRAD52GAA
SCHEMBL9301751 0.77 TOP2B (0.47) TOP2ATOP2BPOLBRAD52GAA

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