SCHEMBL18806530

SCHEMBL18806530

N#Cc1nc2ccc(OCCCNC(=O)Cc3ccc4c(c3)C3(OC4=O)c4ccc(O)cc4Oc4cc(O)ccc43)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.41
▸ ITPR3 Q14573 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ FTO Q9C0B1 7/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMAD3 P84022 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GLS O94925 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ NQO1 P15559 1/20 0.37
▸ FAP Q12884 1/20 0.37

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
SCHEMBL18383372 0.95 MIF (0.44) MIFITPR3KCNH2FTOMEN1
SCHEMBL13663814 0.89 NT5E (0.41) MIFITPR3KCNH2FTOMEN1
SCHEMBL13662233 0.82 NT5E (0.41) MIFITPR3KCNH2FTOMEN1
SCHEMBL13662226 0.80 KCNH2 (0.43) MIFITPR3KCNH2MEN1MAPT
SCHEMBL18116829 0.78 KCNH2 (0.44) MIFKCNH2MEN1MAPTHTT
SCHEMBL19835754 0.78 L3MBTL1 (0.48) ITPR3KCNH2FTOMEN1MAPT
SCHEMBL19719052 0.76 FTO (0.52) ITPR3KCNH2FTOMEN1MAPT
SCHEMBL21091701 0.76 FTO (0.45) ITPR3KCNH2FTOMEN1MAPT
SCHEMBL13637242 0.74 ITPR3 (0.33) ITPR3KCNH2FAPNT5E
SCHEMBL18638159 0.74 — —

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-2626703-B1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORP (US) 2017-05-03 — — EP disclosed
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