SCHEMBL13637216

SCHEMBL13637216

CN(C)C1=CCC2C(=C1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCCOc3ccc4nc(C#N)sc4c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ MMP2 P08253 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 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
SCHEMBL13637242 0.87 ITPR3 (0.33) KCNH2SMN1; SMN2TP53
SCHEMBL13662226 0.85 KCNH2 (0.43) KCNH2MMP2MMP8MMP13MAPT
SCHEMBL18116829 0.83 KCNH2 (0.44) KCNH2MAPTPOLB
SCHEMBL13662234 0.79 KCNH2 (0.43) KCNH2MMP2MMP8MMP13MAPT
SCHEMBL18638161 0.78 LMNA (0.36) KCNH2MMP2MMP8MMP13MAPT
SCHEMBL13663814 0.77 NT5E (0.41) KCNH2MAPT
SCHEMBL13637310 0.75 MCHR1 (0.35) KCNH2MMP2MMP8MMP13MAPT
SCHEMBL18638158 0.74 KCNH2 (0.41) KCNH2MMP2MMP8MMP13MAPT
SCHEMBL13662230 0.73 KCNH2 (0.41) KCNH2MAPT
SCHEMBL13662231 0.72 KCNH2 (0.40) KCNH2

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-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 — — WO disclosed
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