SCHEMBL5438009

SCHEMBL5438009

CCc1c(N)c(N)nn1CCCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
ADORA2A P29274 1/20 0.31
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
CSNK2A3 Q8NEV1 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL5405673 0.93 MPO (0.35) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL5433242 0.86 SCN5A (0.32) SCN5ASCN9A
SCHEMBL5414289 0.77 CSNK2A1 (0.35) CSNK2A1
SCHEMBL8038828 0.77 ILK (0.32)
SCHEMBL5402381 0.76
SCHEMBL5420781 0.75
SCHEMBL8025301 0.74 ADORA2A (0.31) ADORA2A
SCHEMBL5410612 0.72 SRC (0.33)
SCHEMBL7069490 0.72 CYP1A2 (0.39)
SCHEMBL5396488 0.71 LMNA (0.40) ADORA2ACSNK2A1

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
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