SCHEMBL13659010

SCHEMBL13659010

Nc1c(SOOO)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4SOOO)n3)c(SOOO)c2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.59
▸ P2RY1 P47900 2/20 0.56
▸ FUT8 Q9BYC5 2/20 0.56
▸ CHAT P28329 4/20 0.54
▸ USP2 O75604 2/20 0.54
▸ APEX1 P27695 2/20 0.54
▸ P2RY12 Q9H244 7/20 0.54
▸ ENPP3 O14638 1/20 0.53
▸ ENPP1 P22413 1/20 0.53
▸ P2RY4 P51582 5/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL13320765 0.81 GNG2 (0.61) P2RY1P2RY12P2RY4CYP2C9ALOX15
SCHEMBL14437907 0.81 HPGDS (0.61) HPGDSP2RY1FUT8CHATUSP2
SCHEMBL11885193 0.79 HPGDS (0.59) HPGDSP2RY1FUT8CHATUSP2
SCHEMBL13320766 0.79 GNG2 (0.62) P2RY1P2RY12P2RY4CYP3A4CYP2C9
SCHEMBL13320767 0.78 GNG2 (0.61) P2RY1P2RY12P2RY4CYP2C9ALOX15
SCHEMBL13320764 0.74 GNG2 (0.48) P2RY1P2RY12P2RY4CYP3A4CYP2C9
Cibacron Blue SCHEMBL4350042 0.74 HPGDS (1.00) HPGDSP2RY1FUT8CHATUSP2
Cibacron Blue SCHEMBL29558558 0.74 HPGDS (1.00) HPGDSP2RY1FUT8CHATUSP2
Cibacron Blue SCHEMBL30286286 0.74 HPGDS (1.00) HPGDSP2RY1FUT8CHATUSP2
Cibacron Blue SCHEMBL29373073 0.74 HPGDS (1.00) HPGDSP2RY1FUT8CHATUSP2

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-20090263784-A1 THREE-DIMENSIONAL STRUCTURE OF PROSTAGLANDIN D SYNTHASE AND UTILIZATION THEREOF URADE YOSHIHIRO 2009-10-22 — — US disclosed
US-7547532-B2 Three-dimensional structure of prostaglandin D synthase and utilization thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-16 — — US disclosed
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