SCHEMBL8545907

SCHEMBL8545907

O=C1c2cccnc2C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NSD2 O96028 3/20 0.59
PAX8 Q06710 3/20 0.59
BLM P54132 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAOA P21397 2/20 0.59
ABL1 P00519 1/20 0.59
PLCG1 P19174 1/20 0.59
CES1 P23141 1/20 0.59
RIN1 Q13671 1/20 0.59
THRB P10828 1/20 0.59
MAPT P10636 1/20 0.59
GAA P10253 1/20 0.59
S100A4 P26447 4/20 0.55
CDC25B P30305 3/20 0.55
PTPRC P08575 2/20 0.53
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53

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
SCHEMBL27347884 0.80 GAA (0.62) TDP2MEN1KMT2ANSD2PAX8
SCHEMBL5915065 0.80 TDP2 (0.81) TDP2MEN1KMT2ANSD2PAX8
SCHEMBL7809098 0.78 TDP2 (0.59) TDP2MEN1KMT2ANSD2PAX8
SCHEMBL5915061 0.78 GAA (0.86) TDP2MEN1KMT2ANSD2PAX8
SCHEMBL9267635 0.76 TDP2 (0.74) TDP2MEN1KMT2ANSD2PAX8
Quinizarin SCHEMBL29385801 0.75 MEN1 (1.00) TDP2MEN1KMT2ABLMTDP1
Quinizarin SCHEMBL160038 0.75 MEN1 (1.00) TDP2MEN1KMT2ABLMTDP1
SCHEMBL460433 0.75 TDP2 (1.00) TDP2MEN1KMT2ANSD2PAX8
Phanquone SCHEMBL462025 0.75 MEN1 (1.00) TDP2MEN1KMT2ANSD2PAX8
Phanquone SCHEMBL7633567 0.75 MEN1 (1.00) TDP2MEN1KMT2ANSD2PAX8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639183-B1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1998-07-01 EP disclosed
EP-0639183-A1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1995-02-22 EP disclosed
WO-1992015566-A1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-09-17 WO disclosed