SCHEMBL3915652

SCHEMBL3915652

N#CCOc1cc(N)cc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH2 P05091 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SYK P43405 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC2A1 P11166 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL7356717 0.86 ALDH1A1 (0.44) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL5202833 0.86 TP53 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL3054840 0.79 CYP3A4 (0.58) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL30085021 0.79 CYP3A4 (0.58) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL5203582 0.79 MAPT (0.52) ALDH1A1MAPTPOLBGAAL3MBTL1
SCHEMBL14395440 0.78 POLB (0.32) ALDH1A1MAPTPOLBSYK
SCHEMBL2061077 0.77 TDP1 (0.52) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL8195554 0.77 POLB (0.42) ALDH1A1POLBSMN1; SMN2GAAKDM4E
SCHEMBL12311020 0.77 POLB (0.46) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL4670561 0.74 ALDH1A1 (0.42) ALDH1A1MAPTPOLBSMN1; SMN2GAA

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-2032524-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-03-11 EP disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847526-A1 Coupling compounds and hair dyeing compositions containg them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed