SCHEMBL5406970

SCHEMBL5406970

CCCNc1c(N)cnn1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HASPIN Q8TF76 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
APP P05067 1/20 0.31
AOC1 P19801 1/20 0.31
SRC P12931 3/20 0.30
PDE5A O76074 1/20 0.30
PDE4B Q07343 1/20 0.30
MEN1 O00255 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL14357558 0.88 POLB (0.34) ALDH1A1MAPTTLR8TLR7APP
SCHEMBL5405380 0.86 HRH4 (0.34) XDHALDH1A1HASPINKMT2AGAA
SCHEMBL5405019 0.85 XDH (0.36) XDHALDH1A1HASPINKMT2AGAA
Bromide SCHEMBL6789790 0.84 XDH (0.35) XDHHASPINKMT2AGAAHTT
SCHEMBL5444712 0.81 XDH (0.30) XDH
SCHEMBL5413624 0.81 JAK2 (0.34) XDHALDH1A1MAPTTLR8TLR7
SCHEMBL5433234 0.81 MERTK (0.36) ALDH1A1TLR8TLR7
SCHEMBL5402313 0.79 SRC (0.35) SRC
SCHEMBL14357606 0.79 SRC (0.35) SRC
SCHEMBL5410925 0.79 SRC (0.35) SRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed