SCHEMBL28167536

SCHEMBL28167536

Nc1ccccc1Nc1ccc(Nc2ccccc2N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.53
▸ MAOA P21397 2/20 0.53
▸ CSNK1A1 P48729 2/20 0.53
▸ CSNK1D P48730 2/20 0.53
▸ CSNK1G1 Q9HCP0 2/20 0.53
▸ FGR P09769 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ HIPK2 Q9H2X6 1/20 0.53
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ PTPRC P08575 1/20 0.48
▸ P2RY12 Q9H244 3/20 0.48
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL7037057 0.87 ADORA2A (0.73) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL10601717 0.81 CYP1A2 (0.69) ADORA2AMAOAMEN1KMT2ACYP1A2
SCHEMBL4162091 0.80 ADORA2A (0.61) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL13214023 0.78 GNG2 (0.71) CYP1A2P2RY12ALDH1A1CYP2C9CYP2C19
SCHEMBL29462116 0.78 P2RY4 (0.58) MAOAMEN1KMT2ACYP1A2MAPT
SCHEMBL306224 0.78 P2RY4 (0.58) MAOAMEN1KMT2ACYP1A2MAPT
SCHEMBL169365 0.77 ADORA2A (0.63) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL30918998 0.77 ADORA2A (0.63) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL29527792 0.77 ADORA2A (0.63) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL3033640 0.77 GNG2 (0.70) CYP1A2P2RY12ALDH1A1CYP2C9CYP2C19

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
CN-104693836-B Anthraquinone azo type reactive dye 大连理工大学 2017-07-21 — — CN disclosed
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