SCHEMBL13174903

SCHEMBL13174903

CCOC(=O)c1nc(-c2cccs2)[nH]c1CC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 9/20 0.52
▸ FEN1 P39748 9/20 0.52
▸ ERCC4 Q92889 9/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 4/20 0.47
▸ DNASE1 P24855 2/20 0.46
▸ GAA P10253 3/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TSHR P16473 1/20 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
SCHEMBL13174752 0.90 KMT2A (0.51) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13174725 0.88 KMT2A (0.49) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13296823 0.88 ERCC1 (0.48) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13174750 0.87 KMT2A (0.48) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13211359 0.87 ERCC1 (0.54) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13296836 0.86 KMT2A (0.47) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13296832 0.85 KMT2A (0.47) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13174891 0.83 ERCC1 (0.50) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13174731 0.82 MAPT (0.54) ERCC1FEN1ERCC4ALDH1A1KDM4E
SCHEMBL13175048 0.81 ERCC1 (0.48) ERCC1FEN1ERCC4ALDH1A1KDM4E

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
EP-2223921-A1 2-Thiophen-2-yl-oxazole, 2-Thiophen-2-yl-thiazole and 2-Thiophen-2-yl-1H-imidazole derivatives as antiviral agents Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-09-01 — — EP disclosed
EP-1889843-A1 BISHETEROCYCLE TANDEM COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, THE USES THEREOF AND THE COMPOSITIONS COMPRISING SUCH COMPOUNDS Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2008-02-20 — — EP disclosed
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