SCHEMBL6281303

SCHEMBL6281303

Cc1nn(C)c(NCCN)c1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
BCDIN3D Q7Z5W3 3/20 0.38
ABL1 P00519 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL7530709 0.80 CA12 (0.41) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL1798141 0.72 MAPT (0.49) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL33851 0.72 KDM4E (0.33) MAPTKDM4EGALR3HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6419104 0.71 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DCA12
Hydrochloric Acid SCHEMBL7110990 0.70 GAA (0.33) KDM4EGAABCDIN3DALDH1A1
SCHEMBL16838230 0.69 MAPT (0.57) CA12CA2CA9MAPTKDM4E
SCHEMBL17785540 0.68 GAA (0.57) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL10836513 0.68 GAA (0.46) KDM4EHTTSMN1; SMN2GAAALDH1A1
SCHEMBL7530442 0.67 KMT2A (0.41) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL6937423 0.67 NPC1 (0.44) ADRA2AMAPTKDM4EHTTSMN1; SMN2

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
EP-1594450-A2 COSMETIC COMPOSITION COMPRISING A HYDROGELLING IONIC AMIDE AND A DYE L'OREAL (FR) 2005-11-16 EP disclosed
WO-2004068997-A2 COSMETIC COMPOSITION COMPRISING A HYDROGELLING IONIC AMIDE AND A DYE L'OREAL (FR) 2004-08-19 WO disclosed