SCHEMBL28464701

SCHEMBL28464701

C=Cc1cc(CC)cnc1C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDXK O00764 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL9171315 0.81 PDXK (0.34) PDXKKDM4EL3MBTL1PARP1
SCHEMBL11151694 0.80 PTGS2 (0.39) KDM4EL3MBTL1
SCHEMBL19792099 0.79 NOS3 (0.36) KDM4EL3MBTL1PARP1
SCHEMBL9797914 0.78 PDXK (0.38) PDXKPARP1
SCHEMBL11881227 0.75 CCR1 (0.37) PDXK
SCHEMBL11456047 0.73 PDXK (0.38) PDXKKDM4EL3MBTL1PARP1
SCHEMBL10310085 0.73 NOS3 (0.38) KDM4EL3MBTL1PARP1
SCHEMBL15335189 0.72 SMN1; SMN2 (0.35) PDXKKDM4E
SCHEMBL15721576 0.72 PDXK (0.33) PDXK
SCHEMBL23501684 0.72 CYP2C9 (0.49) L3MBTL1

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-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 — — CN disclosed
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