SCHEMBL11537010

SCHEMBL11537010

Nc1ccc(Nc2ccc(Cl)c(Cl)c2Cl)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.62
▸ CSNK1A1 P48729 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CSNK1G1 Q9HCP0 2/20 0.54
▸ MAOA P21397 2/20 0.54
▸ FGR P09769 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ HIPK2 Q9H2X6 1/20 0.54
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ POLB P06746 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL11534639 0.90 ADORA2A (0.56) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL7037057 0.86 ADORA2A (0.73) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL11792072 0.80 CYP1A2 (0.49) ADORA2AMAOAMEN1KMT2AMMP14
SCHEMBL11063817 0.80 DHODH (0.60) ADORA2AMAOAMEN1KMT2APOLB
SCHEMBL4162091 0.79 ADORA2A (0.61) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL5109323 0.78 ADORA2A (1.00) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL30918998 0.77 ADORA2A (0.63) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL169365 0.77 ADORA2A (0.63) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL29527792 0.77 ADORA2A (0.63) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL11816027 0.77 MAPT (0.45) ADORA2AMAOAMEN1KMT2AMMP14

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-4176113-A ANTRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1979-11-27 — — US disclosed
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