SCHEMBL8976154

SCHEMBL8976154

Cn1c2ccc([Sn](C)(C)C)cc2c2ccc[n+]([O-])c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
NQO2 P16083 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL8976087 0.79 ACHE (0.42) MAPTNQO2HTTKDM4EHSP90AA1
Trifluoromethanesulfonic Acid SCHEMBL8976067 0.77 NSD2 (0.34) NQO2HSP90AA1
SCHEMBL8976156 0.75 ACHE (0.43) MAPTHTTKDM4EMEN1ALDH1A1
SCHEMBL8975697 0.75 BCHE (0.37) MAPTHTTKDM4EMEN1ALDH1A1
SCHEMBL8975764 0.69 FEN1 (0.40) MAPTHTTKDM4EMEN1ALDH1A1
SCHEMBL12395962 0.68 HSP90AA1 (0.31) MAPTHTTKDM4EHSP90AA1
SCHEMBL8975983 0.65 MAOA (0.43) MAPTHTTKDM4EMEN1ALDH1A1
SCHEMBL8976111 0.64 ADORA3 (0.43) MAPTHTTKDM4EMEN1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8976223 0.64 ACHE (0.50) MAPTBCHEACHE
SCHEMBL13504911 0.62 GPR3 (0.58) MAPTNQO2HTTKDM4EHSP90AA1

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
US-5532261-A TREATING STAPHYLOCOCCUS INFECTIONS MERCK & CO., INC. (US) 1996-07-02 US disclosed