SCHEMBL11116594

SCHEMBL11116594

Nc1c(Br)cc(Nc2cccc(O)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 3/20 0.56
▸ GNB1 P62873 3/20 0.56
▸ P2RY4 P51582 12/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ PHLPP2 Q6ZVD8 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ P2RY2 P41231 10/20 0.53
▸ P2RY12 Q9H244 8/20 0.53
▸ P2RY6 Q15077 6/20 0.53
▸ ENTPD1 P49961 2/20 0.53
▸ CDK2 P24941 2/20 0.51
▸ P2RY1 P47900 2/20 0.51

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
SCHEMBL11120841 0.87 P2RY4 (0.68) GNG2GNB1P2RY4PHLPP2P2RY2
SCHEMBL10815044 0.87 GNG2 (0.68) GNG2GNB1P2RY4ALDH1A1CYP1A2
SCHEMBL11172913 0.87 P2RY4 (0.65) GNG2GNB1P2RY4ALDH1A1CYP1A2
SCHEMBL19359475 0.84 PLAUR (0.69) GNG2GNB1P2RY4ALDH1A1CYP1A2
SCHEMBL15371424 0.83 GNG2 (0.80) GNG2GNB1P2RY4ALDH1A1CYP1A2
SCHEMBL792757 0.82 GNG2 (0.79) GNG2GNB1P2RY4ALDH1A1CYP1A2
SCHEMBL11118260 0.82 GNG2 (0.65) GNG2GNB1P2RY4ALDH1A1CYP1A2
SCHEMBL11337879 0.82 GNG2 (0.67) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL792756 0.81 P2RY4 (0.79) P2RY4P2RY2P2RY12P2RY6ENTPD1
SCHEMBL7630900 0.80 P2RY4 (0.68) GNG2GNB1P2RY4PHLPP2P2RY2

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-4436906-A Anthraquinone dyes for cellulose-containing fibers and process for producing the same MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1984-03-13 — — US disclosed
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