SCHEMBL23933886

SCHEMBL23933886

NC/C=C/CNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
MMP2 P08253 3/20 0.50
CTSC P53634 1/20 0.50
SLC15A1 P46059 1/20 0.50
LTA4H P09960 1/20 0.48
BACE1 P56817 2/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46

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
SCHEMBL23933794 0.85 MMP2 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23933801 0.85 MMP2 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23933799 0.85 MMP2 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20204710 0.84 SLC15A1 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3112297 0.83 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15590804 0.83 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8195275 0.82 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23933838 0.82 CTSS (0.64)
SCHEMBL23933841 0.82 CTSS (0.64)
SCHEMBL23933837 0.82 CTSS (0.64)

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
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed