Naphthalene

Naphthalene

SCHEMBL28299668

NNC(=O)N=S(=O)=O.c1ccc2ccccc2c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
NCOA1 Q15788 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
CTSD P07339 1/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 1/20 0.34
OGG1 O15527 1/20 0.34
NPC1 O15118 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
Phenol SCHEMBL27937377 0.84 TDP1 (0.42) GAAMAPTMEN1KMT2AMITF
Toluene SCHEMBL28044613 0.82 LMNA (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6295418 0.82
P-Xylene SCHEMBL28085495 0.79 KDM4E (0.46) GAAMAPTMEN1KMT2ATDP1
Naphthalene SCHEMBL27608457 0.76 CYP2A6 (0.38) GAAMAPTMEN1KMT2ATDP1
Naphthalene SCHEMBL998754 0.72 MAPT (0.47) GAAMAPTMEN1KMT2AMITF
Naphthalene SCHEMBL28096488 0.72 MAPT (0.47) GAAMAPTMEN1KMT2AMITF
Naphthalene SCHEMBL27875545 0.70 NAPRT (0.46) GAAMAPTMEN1KMT2AMITF
Naphthalene SCHEMBL27817238 0.69 CYP2A6 (0.47) ALDH1A1MAPK1CYP2A6ALOX12CES2
Benzene SCHEMBL6243713 0.68 EPHX2 (0.54) GAAMAPTALDH1A1MAOBNPC1

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-107454874-B Thermal recording medium 奥古斯特科勒纸厂欧洲公司 2019-06-14 CN claimed