SCHEMBL19709499

SCHEMBL19709499

N#CC(C(=O)NCC(=O)O)c1nc2ncc(I)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 14/20 0.42
▸ LIPG Q9Y5X9 14/20 0.42
▸ EGLN1 Q9GZT9 4/20 0.31
▸ FLT1 P17948 1/20 0.30
▸ EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL19709492 0.87 LIPC (0.42) LIPCLIPGEGLN1FLT1EGLN3
SCHEMBL20972694 0.74 HPGD (0.44) LIPCLIPG
SCHEMBL19709505 0.72 LIPC (0.56) LIPCLIPGEGLN1
SCHEMBL20972622 0.71 LIPG (0.48) LIPCLIPG
SCHEMBL19709635 0.71 LIPG (0.48) LIPCLIPG
SCHEMBL20972624 0.68 LIPG (0.64) LIPCLIPG
SCHEMBL19709639 0.62 LIPG (0.65) LIPCLIPG
SCHEMBL20972671 0.60 LIPC (0.49) LIPCLIPG
SCHEMBL21061889 0.54 NPC1 (0.41) —
SCHEMBL5514028 0.51 POLB (0.49) EGLN1FLT1EGLN3

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
WO-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 — — WO disclosed
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