Naphthalene

Naphthalene

SCHEMBL28357626

CSc1ccccc1CC(C)=O.c1ccc2ccccc2c1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CHRM2 P08172 1/20 0.40
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL3136680 0.94 LMNA (0.48) LMNAL3MBTL1MAPTALDH1A1KMT2A
Chlorobenzene SCHEMBL28322357 0.85 MAPT (0.43) LMNAL3MBTL1MAPTALDH1A1KMT2A
Bromobenzene SCHEMBL28354245 0.85 L3MBTL1 (0.43) LMNAL3MBTL1MAPTALDH1A1TDP1
SCHEMBL1146046 0.79 CYP2C9 (0.56) LMNAL3MBTL1MAPTALDH1A1TDP1
SCHEMBL7495159 0.79 CHRM2 (0.46) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL28549256 0.78 L3MBTL1 (0.45) LMNAL3MBTL1MAPTALDH1A1TDP1
SCHEMBL1569021 0.78 LMNA (0.47) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL8814602 0.78 PTPN1 (0.51) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL8697987 0.76 ALDH1A1 (0.51) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL6805430 0.76 L3MBTL1 (0.57) LMNAL3MBTL1MAPTALDH1A1TDP1

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-110483475-A A kind of method that silver oxide catalysis method prepares benzothiophenes UNIV SHAOXING 2019-11-22 CN disclosed