SCHEMBL23837293

SCHEMBL23837293

CCOC(=O)c1c(F)ccc2c1OB(N=O)[C@@H](NC(C)=O)C2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRKCZ Q05513 3/20 0.32
▸ FDFT1 P37268 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ CXCR2 P25025 1/20 0.31
▸ CXCR4 P61073 1/20 0.31

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
SCHEMBL23837317 0.91 RAB9A (0.34) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL17347748 0.88 HTT (0.35) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL23130009 0.88 HTT (0.35) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL23837304 0.82 TSHR (0.38) HTTL3MBTL1TP53NPSR1TDP1
SCHEMBL17347781 0.78 RAB9A (0.36) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL23129947 0.78 RAB9A (0.36) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL17347697 0.77 MTNR1A (0.36) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL23130281 0.77 MTNR1A (0.36) HTTKDM4EL3MBTL1THRBTP53
SCHEMBL19663625 0.77 PRKCZ (0.35) TDP1MEN1ALDH1A1KMT2APRKCZ
SCHEMBL23129955 0.76 CA12 (0.42) NPSR1TDP1MEN1ALDH1A1KMT2A

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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