SCHEMBL29529563

SCHEMBL29529563

Nc1ccc(-c2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.86
▸ MAOA P21397 3/20 0.86
▸ CSNK1A1 P48729 2/20 0.86
▸ CSNK1D P48730 2/20 0.86
▸ CSNK1G1 Q9HCP0 2/20 0.86
▸ FGR P09769 1/20 0.86
▸ PIM1 P11309 1/20 0.86
▸ DYRK1A Q13627 1/20 0.86
▸ HIPK2 Q9H2X6 1/20 0.86
▸ MEN1 O00255 10/20 0.68
▸ KMT2A Q03164 10/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ POLB P06746 6/20 0.68
▸ MAPT P10636 6/20 0.68
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ L3MBTL1 Q9Y468 4/20 0.68
▸ MCL1 Q07820 4/20 0.68
▸ TDP1 Q9NUW8 4/20 0.68
▸ BLM P54132 3/20 0.68
▸ HPGD P15428 2/20 0.68

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
SCHEMBL29548552 1.00 ADORA2A (0.86) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL278755 1.00 ADORA2A (0.86) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL29361319 0.93 ADORA2A (1.00) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL525762 0.93 ADORA2A (1.00) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL10904540 0.91 ADORA2A (0.95) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
Hydrochloric Acid SCHEMBL8643536 0.91 ADORA2A (0.95) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL14566056 0.90 ADORA2A (0.70) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL865571 0.90 ADORA2A (0.75) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL31174159 0.90 ADORA2A (0.75) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
Sulfuric Acid SCHEMBL8644268 0.84 ADORA2A (0.83) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1

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-11282684-B2 Method for producing test pieces of water-insoluble material for MALDI mass spectrometry and method for quantitative analysis of water-insoluble material using MALDI mass spectrometry LG CHEM, LTD. 2022-03-22 — — US claimed
US-11282684-B2 Method for producing test pieces of water-insoluble material for MALDI mass spectrometry and method for quantitative analysis of water-insoluble material using MALDI mass spectrometry LG CHEM, LTD. 2022-03-22 — — US disclosed
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