SCHEMBL9302015

SCHEMBL9302015

C[Sn](C)(C)c1ccc2c(c1)-c1ncccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
PTPRC P08575 2/20 0.54
CTSL P07711 1/20 0.54
CTSS P25774 1/20 0.54
PTPN13 Q12923 1/20 0.54
TDP2 O95551 3/20 0.50
NSD2 O96028 3/20 0.50
PAX8 Q06710 3/20 0.50
ABL1 P00519 1/20 0.50
PLCG1 P19174 1/20 0.50
CES1 P23141 1/20 0.50
RIN1 Q13671 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
CDC25B P30305 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
S100A4 P26447 5/20 0.44

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
SCHEMBL9302208 0.94 TDP1 (0.55) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL9301675 0.84 TDP1 (0.55) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL29117498 0.79 ELANE (0.55) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL9849269 0.78 ELANE (0.53) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL9300812 0.76 GAA (0.60) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL20089622 0.76 GAA (0.60) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL30799541 0.75 PTPRC (0.91) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL69772 0.75 PTPRC (0.91) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL5915061 0.75 GAA (0.86) GAAPTPRCCTSLCTSSPTPN13
SCHEMBL29551149 0.73 GAA (1.00) GAAPTPRCCTSLCTSSPTPN13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994009002-A1 2-(AZA-9-FLUORENONYL)CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed
US-5294610-A Staphylococcus; side effect reduction MERCK & CO. INC. (US) 1994-03-15 US disclosed