SCHEMBL28427282

SCHEMBL28427282

Cc1nc2ccc(OCCCN3CCCC3)cc2o1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 12/20 0.71
▸ TLR7 Q9NYK1 8/20 0.71
▸ LTA4H P09960 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ XDH P47989 4/20 0.52
▸ MAOB P27338 1/20 0.50

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
SCHEMBL28426374 0.99 TLR9 (0.71) TLR9TLR7LTA4HKDM4EL3MBTL1
SCHEMBL28424607 0.91 TLR9 (0.60) TLR9TLR7XDH
SCHEMBL28426373 0.90 TLR9 (0.58) TLR9TLR7XDH
SCHEMBL28432877 0.89 TLR9 (0.57) TLR9TLR7XDH
SCHEMBL28431993 0.88 TLR9 (0.56) TLR9TLR7KDM4EMAOB
SCHEMBL28894159 0.88 TLR9 (0.56) TLR9TLR7XDHMAOB
SCHEMBL28430804 0.88 TLR9 (0.56) TLR9TLR7XDH
SCHEMBL28435805 0.87 TLR9 (0.55) TLR9TLR7LTA4H
SCHEMBL28432073 0.85 PRKDC (0.53) TLR9TLR7KDM4EXDHMAOB
SCHEMBL12396763 0.83 TLR9 (1.00) TLR9TLR7

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-111285819-A Benzoxazole compound and application thereof 江苏恩华药业股份有限公司 2020-06-16 — — CN disclosed
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