SCHEMBL9302518

SCHEMBL9302518

O=Cc1cc(Br)cc2c1C(=O)c1cccnc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.47
PTPRC P08575 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
PTPN13 Q12923 1/20 0.46
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 0.43
PADI1 Q9ULC6 3/20 0.43
PADI3 Q9ULW8 3/20 0.43
PADI4 Q9UM07 3/20 0.43
PADI2 Q9Y2J8 3/20 0.43
HKDC1 Q2TB90 2/20 0.43
TRIM24 O15164 1/20 0.42

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
SCHEMBL9685509 0.79 PTPRC (0.50) CDC25BPTPRCTDP2NSD2PLCG1
SCHEMBL9300812 0.72 GAA (0.60) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL9302996 0.72 GAA (0.60) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL16272402 0.70 ERN1 (0.45) PTPRCCES1S100A4TGM2
SCHEMBL9302104 0.70 CDC25B (0.58) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL13292088 0.69 TDP2 (0.66) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL22065879 0.69 GAA (0.66) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL9267635 0.66 TDP2 (0.74) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL5915065 0.66 TDP2 (0.81) CDC25BPTPRCCTSLCTSSPTPN13
SCHEMBL29419580 0.66 TDP2 (1.00) CDC25BPTPRCCTSLCTSSPTPN13

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