SCHEMBL22877226

SCHEMBL22877226

O=C1c2c(O)cccc2-c2nn(CCNCCOI)c3ccc(NCCNCCO)c1c23

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.87
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NSD2 O96028 2/20 0.44
CSNK2A1 P68400 2/20 0.44
NPC1 O15118 1/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
CACNA1F O60840 1/20 0.44
SLC22A3 O75751 1/20 0.44
EGFR P00533 1/20 0.44
ESR1 P03372 1/20 0.44

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
Losoxantrone SCHEMBL61319 0.93 TOP2A (1.00) TOP2AMEN1USP2LMNATP53
Losoxantrone SCHEMBL29360703 0.93 TOP2A (1.00) TOP2AMEN1USP2LMNATP53
Losoxantrone SCHEMBL29409658 0.92 TOP2A (0.98) TOP2AMEN1USP2LMNATP53
Losoxantrone SCHEMBL6685621 0.92 TOP2A (0.98) TOP2AMEN1USP2LMNATP53
SCHEMBL18689529 0.92 TOP2A (0.87) TOP2AMEN1USP2LMNATP53
Losoxantrone SCHEMBL5170 0.91 TOP2A (0.96) TOP2AMEN1USP2LMNATP53
SCHEMBL10800466 0.88 TOP2A (0.90) TOP2AMEN1USP2LMNATP53
SCHEMBL10805434 0.86 TOP2A (0.86) TOP2AMEN1USP2LMNATP53
SCHEMBL10801795 0.82 TOP2A (0.79) TOP2AMEN1USP2LMNATP53
SCHEMBL10998300 0.82 TOP2A (0.79) TOP2AMEN1USP2LMNATP53

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-2021007322-A1 METHODS OF USING MODIFIED CYTOTOXINS TO TREAT CANCER NORTHWESTERN UNIVERSITY (US) 2021-01-14 WO disclosed