SCHEMBL11166261

SCHEMBL11166261

Cc1nnc(SCC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(NC(=O)/C(=C/Br)c4csc(NC=O)n4)[C@H]3SC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.51
▸ TDP1 Q9NUW8 8/20 0.50
▸ MAPT P10636 8/20 0.48
▸ POLB P06746 8/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ SLC22A11 Q9NSA0 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 2/20 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
SCHEMBL11166273 1.00 CTDSP1 (0.51) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11199039 0.91 TDP1 (0.41) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11200419 0.89 POLB (0.61) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11196852 0.88 NR1I2 (0.56) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11196743 0.88 CTDSP1 (0.44) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11173201 0.86 TDP1 (0.41) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11173199 0.86 TDP1 (0.41) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11473125 0.84 CTDSP1 (0.61) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL11473122 0.84 CTDSP1 (0.61) CTDSP1TDP1MAPTPOLBALDH1A1
SCHEMBL9643776 0.83 CTDSP1 (0.47) CTDSP1TDP1MAPTPOLBALDH1A1

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-0082498-A2 Beta-lactam compounds and process for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1983-06-29 — — EP disclosed
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