SCHEMBL18691830

SCHEMBL18691830

O=[C]c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CDC25B P30305 1/20 0.44
USP8 P40818 1/20 0.42
USP7 Q93009 1/20 0.42
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 3/20 0.38
APAF1 O14727 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTPRC P08575 2/20 0.38
LMNA P02545 2/20 0.38
TDP2 O95551 2/20 0.38
S100A4 P26447 2/20 0.38

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
SCHEMBL28705 0.73 STAT3 (0.56) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL6577994 0.73 STAT3 (0.61) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL16167166 0.73 STAT3 (0.56) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL19669614 0.72 STAT3 (0.59) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL29365382 0.70 STAT3 (0.69) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL30422 0.70 STAT3 (0.57) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL12640092 0.70 STAT3 (0.53) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL1887185 0.70 STAT3 (0.69) STAT3ALDH1A1KMT2AMEN1CDC25B
SCHEMBL10068407 0.70 ALDH1A1 (0.53) STAT3ALDH1A1KMT2AMEN1CDC25B
Anthraquinone SCHEMBL7142334 0.70 MEN1 (0.80) ALDH1A1KMT2AMEN1CDC25BUSP8

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
EP-3153508-A1 NOVEL ANTICANCER AGENT Kyoto Pharmaceutical Industries, Ltd. (JP) 2017-04-12 EP disclosed