SCHEMBL3138328

SCHEMBL3138328

CCn1c(N2CCC(N(C)C)C2)c(N)c(=O)n1CC.CCn1c(N2CCCC2)c(N)c(=O)n1CC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MCHR1 Q99705 2/20 0.34
KCNH2 Q12809 1/20 0.33
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
KDM1A O60341 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL34001 0.95 KCNH2 (0.35) MAP4K4HRH4HRH3MCHR1KCNH2
Hydrochloric Acid SCHEMBL2929557 0.94 KCNH2 (0.35) MAP4K4HRH4HRH3MCHR1KCNH2
SCHEMBL3138338 0.86 HRH4 (0.34) MAP4K4HRH4HRH3MCHR1KCNH2
SCHEMBL9974728 0.85 KCNH2 (0.34) MAP4K4HRH4HRH3KCNH2PIM1
Hydrochloric Acid SCHEMBL3932856 0.81 ALDH1A1 (0.31)
SCHEMBL10325917 0.79 KCNH2 (0.33) MAP4K4HRH4HRH3MCHR1KCNH2
SCHEMBL943802 0.76 IKBKB (0.35)
SCHEMBL18975358 0.74 MAP4K4 (0.37) MAP4K4HRH4HRH3MCHR1KCNH2
SCHEMBL15651890 0.72
SCHEMBL20798578 0.68 PDGFRB (0.38) MAP4K4HRH4HRH3MCHR1KCNH2

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-2198831-A1 Method for lightening, lightening direct dyeing or oxidation dyeing carried out in the presence of an organic amine and a mineral base; suitable kit L'Oreal (FR) 2010-06-23 EP disclosed