SCHEMBL2181813

SCHEMBL2181813

O=c1c2c(c3cccc4c3=c1c1ccccc14)-c1ccccc1C=2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ NTRK1 P04629 2/20 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
SCHEMBL4853869 0.73 CDC25A (0.32) CDC25ACDC25B
SCHEMBL15732920 0.61 ALDH1A1 (0.43) POLBCDC25B
SCHEMBL20783635 0.59 ALDH1A1 (0.42) POLBCDC25B
SCHEMBL23463116 0.58 ALDH1A1 (0.46) POLB
SCHEMBL17102360 0.58 CDC25B (0.35) POLBCDC25ACDC25B
SCHEMBL29352607 0.58 CDC25B (0.35) POLBCDC25ACDC25B
SCHEMBL30726860 0.57 CDC25A (0.32) CDC25ACDC25B
SCHEMBL4849524 0.57 CDC25A (0.32) CDC25ACDC25B
SCHEMBL598716 0.57 CDC25A (0.32) CDC25ACDC25B
Benzene SCHEMBL18627969 0.56 CDC25B (0.34) POLBCDC25ACDC25B

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
WO-2011081429-A2 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-07-07 — — WO disclosed
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