SCHEMBL28974397

SCHEMBL28974397

O=C(Nc1cc(Cl)ccc1-n1cnnn1)C(=O)N[C@H](CNc1ccc(C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.55
F11 P03951 18/20 0.53
KLK1 P06870 8/20 0.53
KLKB1 P03952 8/20 0.48

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
SCHEMBL29758125 0.86 F11 (0.62) F9F11KLK1KLKB1
SCHEMBL23466507 0.86 F11 (0.62) F9F11KLK1KLKB1
SCHEMBL23466506 0.86 F11 (0.62) F9F11KLK1KLKB1
SCHEMBL23486557 0.82 F11 (0.58) F9F11KLK1KLKB1
SCHEMBL3668964 0.82 F9 (0.52) F9F11KLK1KLKB1
SCHEMBL3664533 0.82 F11 (0.66) F9F11KLKB1
SCHEMBL23466375 0.82 F11 (0.53) F9F11KLK1KLKB1
SCHEMBL23466376 0.82 F11 (0.53) F9F11KLK1KLKB1
SCHEMBL3666528 0.82 F11 (0.52) F9F11KLK1KLKB1
SCHEMBL28974365 0.81 CTSD (0.42) F9F11KLK1KLKB1

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
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed