SCHEMBL9301675

SCHEMBL9301675

C[Sn](C)(C)c1ccc2c(c1)C(=O)c1ncccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
PTPRC P08575 2/20 0.53
CDC25B P30305 3/20 0.47
TDP2 O95551 3/20 0.46
NSD2 O96028 3/20 0.46
PAX8 Q06710 3/20 0.46
ABL1 P00519 1/20 0.46
PLCG1 P19174 1/20 0.46
CES1 P23141 1/20 0.46
RIN1 Q13671 1/20 0.46
GAA P10253 1/20 0.46
S100A4 P26447 6/20 0.44
PADI1 Q9ULC6 3/20 0.43
PADI3 Q9ULW8 3/20 0.43
PADI4 Q9UM07 3/20 0.43
PADI2 Q9Y2J8 3/20 0.43

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 0.88 TDP1 (0.55) TDP1MEN1THRBBLMKMT2A
SCHEMBL9302015 0.84 GAA (0.55) TDP1MEN1THRBBLMKMT2A
SCHEMBL9849269 0.78 ELANE (0.53) TDP1MEN1THRBBLMKMT2A
SCHEMBL730769 0.77 MEN1 (0.90) TDP1MEN1THRBBLMKMT2A
SCHEMBL29503833 0.77 MEN1 (0.90) TDP1MEN1THRBBLMKMT2A
SCHEMBL29117498 0.76 ELANE (0.55) TDP1MEN1THRBBLMKMT2A
SCHEMBL9301218 0.76 TDP1 (0.60) TDP1MEN1THRBBLMKMT2A
SCHEMBL1899280 0.75 PTPRC (0.88) TDP1MEN1THRBBLMKMT2A
SCHEMBL29566445 0.75 PTPRC (0.88) TDP1MEN1THRBBLMKMT2A
Bromide SCHEMBL28112336 0.75 MEN1 (0.86) TDP1MEN1THRBBLMKMT2A

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