SCHEMBL10998300

SCHEMBL10998300

O=C1c2c(O)ccc(O)c2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.79
MEN1 O00255 2/20 0.61
USP2 O75604 2/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 2/20 0.61
MAPK1 P28482 2/20 0.61
RECQL P46063 2/20 0.61
BLM P54132 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
NSD2 O96028 2/20 0.61
CSNK2A1 P68400 2/20 0.61
NPC1 O15118 1/20 0.61
SLC22A2 O15244 1/20 0.61
SLC22A1 O15245 1/20 0.61
CACNA1F O60840 1/20 0.61
SLC22A3 O75751 1/20 0.61
EGFR P00533 1/20 0.61
ESR1 P03372 1/20 0.61

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
SCHEMBL10805304 0.96 TOP2A (0.72) TOP2AMEN1USP2LMNATP53
SCHEMBL10803111 0.95 TOP2A (0.72) TOP2AMEN1USP2LMNATP53
Teloxantrone SCHEMBL782387 0.94 TOP2A (0.70) TOP2AMEN1USP2LMNATP53
SCHEMBL10804721 0.94 TOP2A (0.70) TOP2AMEN1USP2LMNATP53
SCHEMBL10805319 0.94 TOP2A (0.70) TOP2AMEN1USP2LMNATP53
SCHEMBL10805640 0.94 TOP2A (0.70) TOP2AMEN1USP2LMNATP53
Teloxantrone SCHEMBL9177269 0.93 TOP2A (0.69) TOP2AMEN1USP2LMNATP53
Piroxantrone SCHEMBL29705729 0.93 TOP2A (0.69) TOP2AMEN1USP2LMNATP53
Piroxantrone SCHEMBL93599 0.93 TOP2A (0.69) TOP2AMEN1USP2LMNATP53
SCHEMBL10800843 0.93 TOP2A (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556654-A ANTICARCINOGENIC, FUNGICIDES, ANTISEPTICS WARNER-LAMBERT COMPANY (US) 1985-12-03 US disclosed
EP-0103381-A1 Substituted anthra(1,9-cd)pyrazol-6(2H)-ones WARNER-LAMBERT COMPANY (US) 1984-03-21 EP disclosed