SCHEMBL8919698

SCHEMBL8919698

O=C1c2cccnc2C(=O)c2[nH]c(=O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TDP2 O95551 3/20 0.55
NSD2 O96028 3/20 0.55
PAX8 Q06710 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ABL1 P00519 1/20 0.55
PLCG1 P19174 1/20 0.55
CES1 P23141 1/20 0.55
RIN1 Q13671 1/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
S100A4 P26447 5/20 0.51
CDC25B P30305 2/20 0.51
PTPRC P08575 2/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
PTPN13 Q12923 1/20 0.50
IDO1 P14902 3/20 0.48

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
SCHEMBL5915061 0.79 GAA (0.86) GAATDP2NSD2PAX8TDP1
SCHEMBL8920440 0.77 RAB9A (0.56) TDP2NSD2PAX8TDP1PLCG1
SCHEMBL29551149 0.77 GAA (1.00) GAATDP2NSD2PAX8TDP1
SCHEMBL579998 0.77 GAA (1.00) GAATDP2NSD2PAX8TDP1
SCHEMBL5915065 0.77 TDP2 (0.81) GAATDP2NSD2PAX8TDP1
SCHEMBL30774319 0.77 GAA (1.00) GAATDP2NSD2PAX8TDP1
SCHEMBL6269145 0.77 TDP2 (0.55) GAATDP2NSD2PAX8MEN1
SCHEMBL29746876 0.75 GAA (0.78) GAATDP2NSD2PAX8TDP1
SCHEMBL1103717 0.75 GAA (0.78) GAATDP2NSD2PAX8TDP1
SCHEMBL30704440 0.74 NSD2 (0.53) GAATDP2NSD2PAX8TDP1

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-5605905-A DIAZAQUINOMICIN ANALOGS UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1997-02-25 US disclosed
EP-0574195-A1 Antitumoral aza- and diazaanthracenes UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1993-12-15 EP disclosed