SCHEMBL11097441

SCHEMBL11097441

O=C(O)C1=CS[C@H]2/C(=C/c3cccs3)C(=O)N12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11096715 1.00 EP300 (0.38) EP300KAT8HCAR2ALDH1A1
SCHEMBL11096724 1.00 EP300 (0.38) EP300KAT8HCAR2ALDH1A1
SCHEMBL11097439 1.00 EP300 (0.38) EP300KAT8HCAR2ALDH1A1
SCHEMBL11096719 1.00 EP300 (0.38) EP300KAT8HCAR2ALDH1A1
SCHEMBL10974719 0.79
SCHEMBL11102812 0.78 KMT2A (0.39) ALDH1A1
SCHEMBL11097072 0.78 KMT2A (0.39) ALDH1A1
SCHEMBL11102810 0.78 KMT2A (0.39) ALDH1A1
SCHEMBL11097067 0.78 KMT2A (0.39) ALDH1A1
SCHEMBL9666497 0.78

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-0120613-A1 Penem derivatives and precursors BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed