SCHEMBL6264641

SCHEMBL6264641

COCCOc1c(N2CCOC2=O)cc(C)cc1N1CCOC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
P2RY12 Q9H244 1/20 0.34
SCN9A Q15858 2/20 0.33
FGFR4 P22455 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
MAPK10 P53779 1/20 0.31
CRHR1 P34998 1/20 0.31
KDM1A O60341 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
SCHEMBL6261654 0.85 SCN9A (0.35) P2RY12SCN9APIK3CAMTORMAPK10
SCHEMBL5692224 0.83 PIK3CA (0.37) SYKALDH1A1PIK3CAMTORMAPK10
SCHEMBL5176620 0.74 ALDH1A1 (0.37) ALDH1A1PIK3CAMTORMAPK10CRHR1
SCHEMBL5158447 0.73 ALDH1A1 (0.36) ALDH1A1PIK3CAMTORMAPK10CRHR1
SCHEMBL15689222 0.72 KDM1A (0.48) SCN9APIK3CAMTORMAPK10KDM1A
SCHEMBL5486206 0.69 ALDH1A1 (0.37) ALDH1A1PIK3CAMTORMAPK10CRHR1
SCHEMBL13167926 0.68 HSP90AA1 (0.39) LMNAPIK3CAMTOR
SCHEMBL5174949 0.68 PIK3CA (0.38) LMNAPIK3CAMTOR
SCHEMBL10192200 0.67 PARP1 (0.47) SCN9AALDH1A1LMNAPIK3CAMTOR
SCHEMBL5691400 0.66 P2RX7 (0.39) ALDH1A1LMNAPIK3CAMTORMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585488-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
WO-2004058206-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1585488-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP disclosed
WO-2004058206-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed