SCHEMBL18638619

SCHEMBL18638619

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCCCCCOc3ccc4nc(C#N)sc4c3[N+](=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.37
▸ NT5E P21589 2/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.31
▸ NAMPT P43490 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
SCHEMBL15186591 0.94 KCNH2 (0.37) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL18116833 0.91 KCNH2 (0.39) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL18638720 0.90 KCNH2 (0.38) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL18116829 0.85 KCNH2 (0.44) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL13662230 0.84 KCNH2 (0.41) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL13662226 0.82 KCNH2 (0.43) KCNH2NT5EJAK2PI4KB
SCHEMBL13662231 0.79 KCNH2 (0.40) KCNH2JAK2
SCHEMBL25457426 0.78 KCNH2 (0.46) KCNH2NT5ENAMPT
SCHEMBL18266816 0.76 KCNH2 (0.44) KCNH2JAK2
SCHEMBL21549540 0.76 TP53 (0.46) KCNH2NT5ENAMPT

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
EP-3141905-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2017-03-15 — — EP disclosed
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