SCHEMBL28624535

SCHEMBL28624535

COc1cc(Br)[c]cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NQO2 P16083 3/20 0.33
ACHE P22303 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
PRKDC P78527 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
HDAC3 O15379 1/20 0.30

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
SCHEMBL1095951 0.83 NQO2 (0.37) POLBL3MBTL1NQO2ACHETAAR1
SCHEMBL1096884 0.82 PRKDC (0.38) POLBL3MBTL1ACHEMAPTNPSR1
SCHEMBL158115 0.77 ACHE (0.36) NQO2ACHETAAR1MAPTGAA
SCHEMBL15474681 0.77 MAOB (0.42) TAAR1MAPTGFERALOX5PTGS2
SCHEMBL1637015 0.77 POLB (0.33) POLBL3MBTL1TAAR1MAPTNPSR1
SCHEMBL1637863 0.76 ACHE (0.39) NQO2ACHETAAR1MAPTPTGS2
SCHEMBL28536056 0.76 POLB (0.40) POLBL3MBTL1TAAR1MAPTNPSR1
SCHEMBL1636127 0.74 ACHE (0.33) ACHETAAR1MAPTGAAPDE3B
SCHEMBL3250672 0.74 ALDH1A1 (0.38) POLBL3MBTL1ACHETAAR1MAPT
SCHEMBL5842993 0.74 TUBB1 (0.33) POLBACHETAAR1MAPTGAA

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-110092724-B Preparation method of N, N-dimethyl-1-naphthylamine compound 湖南大学 2021-08-31 CN disclosed