SCHEMBL11580911

SCHEMBL11580911

Nc1cccc2c1C(=O)c1c(Oc3ccccc3)cccc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.59
PTPRC P08575 1/20 0.50
KCNA3 P22001 1/20 0.49
BRD4 O60885 2/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 2/20 0.42
FGR P09769 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
MAPK1 P28482 3/20 0.41
NCOA1 Q15788 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2302266 0.95 ADORA2A (0.61) ADORA2APTPRCKCNA3BRD4MAPT
SCHEMBL10546429 0.90 ADORA2A (0.58) ADORA2AKCNA3BRD4MAPTPOLB
SCHEMBL10583717 0.87 ADORA2A (0.55) ADORA2AKCNA3BRD4MAPTPOLB
SCHEMBL11580693 0.87 CCNE2 (0.52) ADORA2APTPRCMAPTPOLBKMT2A
SCHEMBL11579860 0.87 ADORA2A (0.54) ADORA2APTPRCKCNA3BRD4MAPT
SCHEMBL11581548 0.87 ADORA2A (0.50) ADORA2APTPRCBRD4PIM1ALDH1A1
SCHEMBL1764840 0.85 ADORA2A (0.66) ADORA2AKCNA3MAPTPOLBKMT2A
SCHEMBL10927218 0.85 ADORA2A (0.60) ADORA2AKCNA3BRD4MAPTPOLB
SCHEMBL10488130 0.84 ADORA2A (0.58) ADORA2APTPRCKCNA3BRD4MAPT
SCHEMBL10488039 0.84 ADORA2A (0.58) ADORA2APTPRCKCNA3BRD4MAPT

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
US-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed