SCHEMBL18116829

SCHEMBL18116829

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.44
▸ NT5E P21589 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ EGLN1 Q9GZT9 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL13662226 0.97 KCNH2 (0.43) KCNH2NT5ECYP3A4JAK2MIF
SCHEMBL13662234 0.91 KCNH2 (0.43) KCNH2NT5ECYP3A4MIFSCD
SCHEMBL13662230 0.89 KCNH2 (0.41) KCNH2NT5ECYP3A4JAK2MIF
SCHEMBL13663814 0.89 NT5E (0.41) KCNH2NT5ECYP3A4JAK2MIF
SCHEMBL13662231 0.87 KCNH2 (0.40) KCNH2JAK2MIF
SCHEMBL18116833 0.87 KCNH2 (0.39) KCNH2NT5ECYP3A4JAK2MIF
SCHEMBL18638720 0.86 KCNH2 (0.38) KCNH2NT5EJAK2MIFPI4KB
SCHEMBL18638158 0.85 KCNH2 (0.41) KCNH2NT5ECYP3A4JAK2MIF
SCHEMBL18638619 0.85 KCNH2 (0.37) KCNH2NT5EJAK2PI4KBEGLN1
SCHEMBL18266816 0.85 KCNH2 (0.44) KCNH2CYP3A4JAK2MIFALDH1A1

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 3 patents. 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
EP-2269064-B1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORP (US) 2016-11-30 — — EP disclosed
US-9459249-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2016-10-04 — — US disclosed
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