SCHEMBL5405673

SCHEMBL5405673

CCc1c(N)c(N)nn1CCCCCO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.35
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL5438009 0.93 SCN5A (0.33) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL5433242 0.80 SCN5A (0.32) CNR1CNR2
SCHEMBL5414289 0.75 CSNK2A1 (0.35) CSNK2A1
SCHEMBL8038828 0.74 ILK (0.32)
SCHEMBL5402381 0.73
SCHEMBL5420781 0.72
SCHEMBL8025301 0.72 ADORA2A (0.31)
SCHEMBL5410612 0.70 SRC (0.33)
SCHEMBL7069490 0.69 CYP1A2 (0.39)
SCHEMBL5396488 0.69 LMNA (0.40) CSNK2A1LMNA

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 2 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 claimed
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