SCHEMBL28501630

SCHEMBL28501630

Cc1c(C)c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
NPSR1 Q6W5P4 3/20 0.51
GAA P10253 1/20 0.51
GRM6 O15303 1/20 0.49
ALDH1A1 P00352 5/20 0.46
LMNA P02545 6/20 0.45
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
HTT P42858 3/20 0.42
GFER P55789 1/20 0.42
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRD5A2 P31213 1/20 0.41
HPGD P15428 3/20 0.41
PLA2G1B P04054 1/20 0.41
MAPK1 P28482 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL21694087 0.89 MAPT (0.58) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL28356091 0.87 MAPT (0.53) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL5169856 0.82 ALDH1A1 (0.62) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL28203839 0.82 MAPT (0.46) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL1666498 0.80 ALDH1A1 (0.59) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL27448850 0.80 ALDH1A1 (0.59) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL5141928 0.80 ALDH1A1 (0.59) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL1666977 0.79 SMN1; SMN2 (0.50) MAPTNPSR1GAAALDH1A1LMNA
SCHEMBL4093252 0.79 LMNA (0.37) MAPTNPSR1GAAGRM6ALDH1A1
SCHEMBL10832124 0.79 PDE10A (0.50) MAPTNPSR1GAAALDH1A1LMNA

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-109467569-B Synthetic method of 3-aminophenylboronic acid 沧州普瑞东方科技有限公司 2021-01-05 CN disclosed