SCHEMBL31509949

SCHEMBL31509949

O=c1[nH]c2cc(B(O)O)cnc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ FEN1 P39748 1/20 0.34
▸ CYP11B1 P15538 7/20 0.33
▸ CYP11B2 P19099 6/20 0.33
▸ PKM P14618 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ GRM4 Q14833 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
SCHEMBL27192102 1.00 NPEPPS (0.37) NPEPPSKDM4EHTTFEN1CYP11B1
SCHEMBL31018954 0.84 AURKA (0.39) NPEPPSKDM4EHTTFEN1CYP11B1
SCHEMBL27192163 0.84 AURKA (0.39) NPEPPSKDM4EHTTFEN1CYP11B1
SCHEMBL27377609 0.83 PLK4 (0.40) NPEPPSKDM4EHTTFEN1CYP11B1
SCHEMBL27377735 0.78 CDK1 (0.40) NPEPPSKDM4EHTTCYP11B1CYP11B2
SCHEMBL27377611 0.78 KDM4E (0.42) NPEPPSKDM4EHTTHSP90AA1GRM4
SCHEMBL27378023 0.77 PIM1 (0.38) FEN1CYP11B2HSP90AA1PARP1
SCHEMBL27378021 0.77 PDE10A (0.38) NPEPPSKDM4EHTTCYP11B1CYP11B2
SCHEMBL31509793 0.76 NPEPPS (0.57) NPEPPSKDM4EHTTFEN1CYP11B1
SCHEMBL30033042 0.74 KDM4E (0.57) NPEPPSKDM4EHTTPKMHSD17B10

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-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
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