SCHEMBL19790188

SCHEMBL19790188

O=C(N[C@@H](CC1CC1)B(O)O)C(/C=N/S(=O)(=O)c1ccc(Oc2cnccn2)cc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 16/20 0.48
▸ LONP1 P36776 12/20 0.48
▸ PSMB1 P20618 10/20 0.48
▸ PSMB8 P28062 10/20 0.48
▸ PSMB9 P28065 10/20 0.48
▸ PSMB6 P28072 10/20 0.48
▸ PSMB10 P40306 10/20 0.48
▸ PSMB2 P49721 10/20 0.48
▸ PSMB11 A5LHX3 9/20 0.48
▸ PSMA7 O14818 9/20 0.48
▸ PSMA1 P25786 9/20 0.48
▸ PSMA2 P25787 9/20 0.48
▸ PSMA3 P25788 9/20 0.48
▸ PSMA4 P25789 9/20 0.48
▸ PSMA5 P28066 9/20 0.48
▸ PSMB4 P28070 9/20 0.48
▸ PSMB3 P49720 9/20 0.48
▸ PSMA6 P60900 9/20 0.48
▸ PSMA8 Q8TAA3 9/20 0.48
▸ PSMB7 Q99436 9/20 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
SCHEMBL19790134 0.85 PSMB5 (0.43) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790128 0.85 PSMB5 (0.43) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790172 0.84 PSMB5 (0.39) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790165 0.84 PSMB5 (0.46) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL2509217 0.83 PSMB5 (0.57) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790236 0.83 PSMB5 (0.45) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790233 0.82 PSMB5 (0.43) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790235 0.81 PSMB5 (0.43) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790168 0.81 PSMB5 (0.42) PSMB5LONP1PSMB1PSMB8PSMB9
SCHEMBL19790171 0.80 PSMB5 (0.41) PSMB5LONP1PSMB1PSMB8PSMB9

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
EP-2552216-B1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2018-01-24 — — EP disclosed
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