SCHEMBL7101284

SCHEMBL7101284

CCc1nn(-c2ccccc2)c(N)c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42

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
SCHEMBL11574230 0.84 GAA (0.63) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL1800203 0.82 ALDH1A1 (0.53) GAAALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL12808003 0.80 SMN1; SMN2 (0.49) GAASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL13860443 0.79 GAA (1.00) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL4524302 0.79 GAA (0.57) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL2545006 0.78 GAA (0.56) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL6659769 0.77 GAA (0.44) GAAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL34059 0.76 SMN1; SMN2 (0.72) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5228080 0.74 SMN1; SMN2 (0.70) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL1800736 0.74 NPC1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1

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-1335695-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A CATIONIC ASSOCIATIVE POLYURETHANE L'OREAL (FR) 2003-08-20 EP disclosed
WO-2002038116-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A CATIONIC ASSOCIATIVE POLYURETHANE L'OREAL (FR) 2002-05-16 WO disclosed