SCHEMBL8976156

SCHEMBL8976156

Cn1c2ccc([Sn](C)(C)C)cc2c2cc[n+]([O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.43
BCHE P06276 9/20 0.43
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.32

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
SCHEMBL8975697 0.91 BCHE (0.37) ACHEBCHEMAPTKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8976223 0.75 ACHE (0.50) ACHEBCHEMAPT
SCHEMBL8976154 0.75 MAPT (0.33) ACHEBCHEMAPTKDM4EALDH1A1
SCHEMBL2718491 0.72 ACHE (0.40) ACHEBCHEMAPTKDM4EALDH1A1
SCHEMBL8976111 0.71 ADORA3 (0.43) ACHEBCHEMAPTKDM4EALDH1A1
SCHEMBL8975983 0.69 MAOA (0.43) ACHEMAPTKDM4EALDH1A1HPGD
Trifluoromethanesulfonic Acid SCHEMBL8976067 0.65 NSD2 (0.34)
SCHEMBL11435867 0.61 POLB (0.37) MAPTMEN1KMT2A
SCHEMBL17940516 0.60 ACHE (0.67) ACHEBCHEKDM4EALDH1A1MEN1
SCHEMBL1983534 0.58 KDM4E (0.37) ACHEBCHEMAPTKDM4EALDH1A1

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