SCHEMBL20458754

SCHEMBL20458754

Cc1nc(N(C)C)nc(CCCCCCCCCCO)c1C#N

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 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
SCHEMBL2233849 0.79 LMNA (0.31) LMNA
SCHEMBL15306036 0.71 LMNA (0.32) LMNA
SCHEMBL12351996 0.70 LMNA (0.33) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL20458721 0.70 HTT (0.34) LMNAHTT
SCHEMBL2234253 0.67 LTA4H (0.39) HTTSMN1; SMN2
SCHEMBL2236713 0.67 TYR (0.35) LMNAALDH1A1KDM4E
SCHEMBL15305976 0.67 TYR (0.35) LMNAALDH1A1KDM4E
SCHEMBL2235262 0.67 TYR (0.35) LMNAALDH1A1KDM4E
SCHEMBL20458743 0.66 KCNH2 (0.34) LMNAALDH1A1MEN1KMT2A
SCHEMBL2232923 0.65 TYR (0.33) LMNAALDH1A1KDM4EMEN1KMT2A

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-2536690-B1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE UNIV ARIZONA (US) 2018-08-08 EP disclosed