SCHEMBL8975697

SCHEMBL8975697

Cn1c2ccc([Sn](C)(C)C)cc2c2c[n+]([O-])ccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8976156 0.91 ACHE (0.43) BCHEACHEMAPTKDM4EALDH1A1
SCHEMBL8976154 0.75 MAPT (0.33) BCHEACHEMAPTKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8976223 0.70 ACHE (0.50) BCHEACHEMAPT
SCHEMBL8975983 0.69 MAOA (0.43) ACHEMAPTKDM4EALDH1A1HPGD
SCHEMBL8976111 0.68 ADORA3 (0.43) BCHEACHEMAPTKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8976067 0.65 NSD2 (0.34)
SCHEMBL2718491 0.64 ACHE (0.40) BCHEACHEMAPTKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8976385 0.64
SCHEMBL11435867 0.61 POLB (0.37) MAPTMEN1KMT2A
SCHEMBL8975796 0.60 DDB1 (0.34) MAPTKDM4EMEN1KMT2A

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