SCHEMBL28430765

SCHEMBL28430765

OB(O)c1cccc(-c2ncnc(-c3ccc(-c4ccccc4)cc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.61
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ PLG P00747 1/20 0.47
▸ F12 P00748 1/20 0.47
▸ F11 P03951 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ ENPP2 Q13822 4/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL18374495 0.90 MGLL (0.69) MGLLCA1CA2PLGF12
SCHEMBL32673209 0.90 MGLL (0.69) MGLLCA1CA2PLGF12
SCHEMBL24618481 0.87 MGLL (0.70) MGLLCA1CA2PLGF12
SCHEMBL30472537 0.87 MGLL (0.70) MGLLCA1CA2PLGF12
SCHEMBL23441721 0.87 MGLL (0.70) MGLLCA1CA2PLGF12
SCHEMBL31184179 0.87 MGLL (0.75) MGLLCA1CA2PLGF12
SCHEMBL23406892 0.87 MGLL (0.75) MGLLCA1CA2PLGF12
SCHEMBL29617333 0.87 MGLL (0.68) MGLLCA1CA2PLGF12
SCHEMBL15754521 0.87 MGLL (0.68) MGLLCA1CA2PLGF12
SCHEMBL28430766 0.87 MGLL (0.51) MGLLCA1CA2PLGF12

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-109970716-B Organic compound and application thereof in organic electroluminescent device 石家庄诚志永华显示材料有限公司 2020-07-24 — — CN disclosed
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