SCHEMBL28429962

SCHEMBL28429962

CCOc1ccccc1Nc1ccccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
ALDH1A1 P00352 5/20 0.63
HSD17B10 Q99714 2/20 0.55
MAPK10 P53779 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
P2RY2 P41231 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL11521594 0.89 MAPK10 (0.62) GAAALDH1A1HSD17B10MAPK10SMN1; SMN2
SCHEMBL1922107 0.79 MAPT (0.62) GAAALDH1A1HSD17B10MAPK10SMN1; SMN2
SCHEMBL11348720 0.79 ALDH1A1 (0.68) GAAALDH1A1HSD17B10MAPK10SMN1; SMN2
SCHEMBL10520727 0.79 GAA (0.63) GAAALDH1A1SMN1; SMN2POLBHDAC3
SCHEMBL26980987 0.79 GAA (0.63) GAAALDH1A1HSD17B10MAPK10SMN1; SMN2
SCHEMBL29466998 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10SMN1; SMN2ALOX15MAPK1
SCHEMBL15704 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10SMN1; SMN2ALOX15MAPK1
SCHEMBL8970984 0.78 MAPK10 (0.55) GAAALDH1A1HSD17B10MAPK10SMN1; SMN2
SCHEMBL30500726 0.78 GAA (0.49) GAAALDH1A1HSD17B10MAPK10SMN1; SMN2
SCHEMBL29058616 0.78 GAA (0.49) GAAALDH1A1HSD17B10MAPK10SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032008-A Method for dyeing keratin materials using at least one blue, violet or green dye and at least one disulfide, thiol or protected thiol fluorescent dye 莱雅公司 2020-04-17 CN disclosed