SCHEMBL17633112

SCHEMBL17633112

Cc1ncsc1C(O)c1c2c([nH]c(=O)c1C(=O)NCC(=O)O)COC2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
EGLN1 Q9GZT9 15/20 0.36
EGLN2 Q96KS0 8/20 0.34
EGLN3 Q9H6Z9 8/20 0.34
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17633173 0.79 EGLN1 (0.36) EGLN1EGLN2EGLN3
SCHEMBL17633307 0.77 EGLN1 (0.36) EGLN1EGLN2EGLN3
SCHEMBL17633124 0.76 EGLN1 (0.41) EGLN1EGLN2EGLN3
SCHEMBL17629490 0.71 EGLN1 (0.50) EGLN1EGLN2EGLN3
SCHEMBL17629528 0.69 EGLN1 (0.38) P2RX7EGLN1EGLN2EGLN3
SCHEMBL17633111 0.64 EGLN1 (0.62) EGLN1EGLN2EGLN3
SCHEMBL17629646 0.64 KDM4E (0.49) EGLN1EGLN2EGLN3
SCHEMBL17629620 0.62 KDM4E (0.52) EGLN1EGLN2EGLN3
SCHEMBL19227012 0.60 PKM (0.41) EGLN1
SCHEMBL17629417 0.60 PKM (0.43) EGLN1EGLN2EGLN3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197451-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP claimed
WO-2016049100-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO claimed
EP-3197451-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049100-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed