SCHEMBL18638720

SCHEMBL18638720

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCCCCCOc3ccc4nc(C#N)sc4c3NO)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ NT5E P21589 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.34
▸ EGLN1 Q9GZT9 4/20 0.32
▸ HDAC6 Q9UBN7 6/20 0.32
▸ ALB P02768 1/20 0.31
▸ HDAC3 O15379 4/20 0.31
▸ HDAC4 P56524 4/20 0.31
▸ HDAC1 Q13547 4/20 0.31
▸ HDAC2 Q92769 4/20 0.31
▸ HDAC8 Q9BY41 4/20 0.31
▸ HDAC9 Q9UKV0 4/20 0.31
▸ MIF P14174 1/20 0.31
▸ MMP14 P50281 1/20 0.30
▸ NQO1 P15559 1/20 0.30
▸ HDAC7 Q8WUI4 3/20 0.30
▸ HDAC10 Q969S8 3/20 0.30
▸ HDAC11 Q96DB2 3/20 0.30
▸ HDAC5 Q9UQL6 3/20 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
SCHEMBL18116833 0.92 KCNH2 (0.39) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL18638619 0.90 KCNH2 (0.37) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL15186591 0.90 KCNH2 (0.37) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL18116829 0.86 KCNH2 (0.44) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL13662230 0.85 KCNH2 (0.41) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL13662226 0.83 KCNH2 (0.43) KCNH2NT5EJAK2PI4KBMIF
SCHEMBL13662231 0.80 KCNH2 (0.40) KCNH2JAK2HDAC6ALBHDAC3
SCHEMBL25457426 0.79 KCNH2 (0.46) KCNH2NT5EHDAC6ALBHDAC3
SCHEMBL18266816 0.77 KCNH2 (0.44) KCNH2JAK2HDAC6ALBMIF
SCHEMBL21549531 0.77 TP53 (0.46) KCNH2NT5EHDAC6ALBHDAC3

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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