SCHEMBL10801112

SCHEMBL10801112

CNCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.53
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
CACNA1F O60840 1/20 0.40
SLC22A3 O75751 1/20 0.40
NSD2 O96028 1/20 0.40
EGFR P00533 1/20 0.40
ESR1 P03372 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL10805095 0.92 TOP2A (0.55) TOP2AMEN1USP2LMNATP53
SCHEMBL10799694 0.92 TOP2A (0.54) TOP2AMEN1USP2LMNATP53
SCHEMBL10801787 0.88 TOP2A (0.69) TOP2AMEN1USP2LMNATP53
Teloxantrone SCHEMBL782387 0.87 TOP2A (0.70) TOP2AMEN1USP2LMNATP53
SCHEMBL10801133 0.87 TOP2A (0.55) TOP2AMEN1USP2LMNATP53
SCHEMBL10807458 0.86 TOP2A (0.50) TOP2AMEN1USP2LMNATP53
Teloxantrone SCHEMBL9177269 0.86 TOP2A (0.69) TOP2AMEN1USP2LMNATP53
Teloxantrone SCHEMBL29397399 0.85 TOP2A (0.68) TOP2AMEN1USP2LMNATP53
Teloxantrone SCHEMBL3195 0.85 TOP2A (0.68) TOP2AMEN1USP2LMNATP53
SCHEMBL10800389 0.85 TOP2A (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103381-B1 SUBSTITUTED ANTHRA(1,9-CD)PYRAZOL-6(2H)-ONES WARNER-LAMBERT COMPANY (US) 1987-09-23 EP claimed
EP-0103381-A1 Substituted anthra(1,9-cd)pyrazol-6(2H)-ones WARNER-LAMBERT COMPANY (US) 1984-03-21 EP claimed
EP-0103381-B1 SUBSTITUTED ANTHRA(1,9-CD)PYRAZOL-6(2H)-ONES WARNER-LAMBERT COMPANY (US) 1987-09-23 EP disclosed
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