SCHEMBL12809649

SCHEMBL12809649

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=C)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.79
▸ MAPT P10636 4/20 0.79
▸ ABCC4 O15439 1/20 0.79
▸ CNR1 P21554 1/20 0.79
▸ CTDSP1 Q9GZU7 1/20 0.79
▸ APAF1 O14727 2/20 0.72
▸ APEX1 P27695 2/20 0.72
▸ LMNA P02545 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ PLCG1 P19174 1/20 0.72
▸ ABCC2 Q92887 1/20 0.72
▸ SIRT5 Q9NXA8 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ PSMD14 O00487 1/20 0.71
▸ MMP2 P08253 1/20 0.71
▸ HPGD P15428 1/20 0.65
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ DUSP3 P51452 1/20 0.55

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
SCHEMBL9483159 0.92 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL1821101 0.92 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL1559599 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL4114437 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL2221924 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL36995 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL36996 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL16072816 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL3297328 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL5919457 0.89 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1

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
EP-1554289-B1 A CEFDINIR INTERMEDIATE SANDOZ AG (CH) 2011-03-09 — — EP disclosed
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