SCHEMBL9213962

SCHEMBL9213962

[O]Cc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CDC25B P30305 1/20 0.50
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
MAPT P10636 5/20 0.48
MAPK1 P28482 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
EGFR P00533 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
PABPC1 P11940 2/20 0.48
RAB9A P51151 2/20 0.48
NSD2 O96028 1/20 0.48
LMNA P02545 1/20 0.48
MAOA P21397 6/20 0.46
ALOX12 P18054 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL11284694 0.86 ADORA2A (0.52) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL83136 0.83 ADORA2A (0.53) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL16424117 0.82 ADORA2A (0.57) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL5013717 0.82 ADORA2A (0.52) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL431678 0.82 MEN1 (0.53) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL3256179 0.82 AURKA (0.53) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL2605008 0.79 KEAP1 (0.51) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL18242705 0.79 ELANE (0.53) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL6711781 0.79 ADORA2A (0.48) ADORA2AMEN1KMT2ACDC25BALDH1A1
SCHEMBL2316204 0.79 MEN1 (0.54) ADORA2AMEN1KMT2ACDC25BALDH1A1

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-0450461-B1 LHRH Analogs UNIV TULANE (US) 1995-09-06 EP disclosed