SCHEMBL7944836

SCHEMBL7944836

COC(=O)c1ccc(Oc2ccc(Nc3cc(Br)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 10/20 0.56
▸ P2RY2 P41231 8/20 0.53
▸ PHLPP2 Q6ZVD8 1/20 0.48
▸ GNG2 P59768 2/20 0.47
▸ GNB1 P62873 2/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ CDC25B P30305 1/20 0.47
▸ P2RY6 Q15077 2/20 0.46
▸ ENTPD1 P49961 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.45
▸ PLAUR Q03405 1/20 0.45

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
SCHEMBL7949815 0.87 P2RY4 (0.69) P2RY4P2RY2GNG2GNB1P2RY6
SCHEMBL19382541 0.82 P2RY4 (0.69) P2RY4P2RY2PHLPP2GNG2GNB1
SCHEMBL11291852 0.82 KMT2A (0.54) PHLPP2CDC25ACDC25B
SCHEMBL11298454 0.79 MEN1 (0.55) P2RY4P2RY2P2RY6
SCHEMBL11120841 0.79 P2RY4 (0.68) P2RY4P2RY2PHLPP2GNG2GNB1
SCHEMBL7630900 0.79 P2RY4 (0.68) P2RY4P2RY2PHLPP2GNG2GNB1
SCHEMBL11337879 0.79 GNG2 (0.67) P2RY4P2RY2GNG2GNB1P2RY6
SCHEMBL11172913 0.78 P2RY4 (0.65) P2RY4P2RY2PHLPP2GNG2GNB1
SCHEMBL11117627 0.77 GNG2 (0.54) P2RY4P2RY2PHLPP2GNG2GNB1
SCHEMBL11295480 0.77 HDAC1 (0.54) P2RY4P2RY2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248816-B1 HIGH COLOR; RADIATION TRANSPARENT; INDANTHRONE DYE EASTMAN CHEMICAL COMPANY 2001-06-19 — — US disclosed
WO-1999058610-A1 THERMOPLASTIC POLYMER COMPOSITIONS CONTAINING DYE COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1999-11-18 — — WO disclosed
US-5973038-A Thermoplastic polymer compositions containing black dye compositions EASTMAN CHEMICAL COMPANY (US) 1999-10-26 — — US disclosed
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