SCHEMBL2416062

SCHEMBL2416062

CC(O)C1CC(O)CN1c1ccc(N)c(NCCO)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 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
SCHEMBL2412029 0.82 KDM4E (0.33) HRH4KDM4EMAPK1
SCHEMBL2416070 0.81 KDM4E (0.32) HRH4KDM4EMAPK1
SCHEMBL2415787 0.79 GAA (0.38) KDM4EMAPK1
SCHEMBL2412012 0.76 CCNT1 (0.32)
SCHEMBL2411482 0.74 HRH4 (0.39) HRH4KDM4EMAPK1
SCHEMBL2411501 0.73 CCNT1 (0.34)
SCHEMBL2412757 0.72 GAA (0.38)
SCHEMBL2411035 0.72 HRH4 (0.46) HRH4KDM4EMAPK1
SCHEMBL2411628 0.72 SCN9A (0.31)
SCHEMBL2416112 0.72 CYP1A2 (0.34) HRH4KDM4E

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-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed