SCHEMBL11046663

SCHEMBL11046663

CC(=O)C1=Nc2cccc3cccc(c23)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.58
MAPT P10636 9/20 0.58
MCL1 Q07820 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 13/20 0.51
MEN1 O00255 11/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
STAT3 P40763 1/20 0.51
LMNA P02545 5/20 0.50
KDM4E B2RXH2 3/20 0.50
USP2 O75604 2/20 0.50
APAF1 O14727 1/20 0.50
PLCG1 P19174 1/20 0.50

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
SCHEMBL27660778 0.87 GAA (0.57) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL29709862 0.85 KMT2A (0.56) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL5337037 0.85 KMT2A (0.56) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL18338668 0.83 GAA (0.50) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL18338669 0.83 GAA (0.50) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL18338670 0.77 GAA (0.51) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL6527367 0.75 GAA (0.65) GAAMAPTMCL1SMN1; SMN2CYP1A2
Methylglyoxal SCHEMBL6013425 0.75 GAA (0.51) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL8485540 0.74 GAA (1.00) GAAMAPTMCL1SMN1; SMN2CYP1A2
SCHEMBL1268566 0.74 GAA (0.62) GAAMAPTMCL1SMN1; SMN2CYP1A2

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
JP-59048097-A None JP disclosed
JP-S5948097-A FRACTIONATION AND DETERMINATION OF POLYAMIDE AND ACETYL-POLYAMINE AMANO PHARMACEUT CO LTD 1984-03-19 JP disclosed