SCHEMBL23837477

SCHEMBL23837477

CNS(=O)(=O)CCCC(=O)N[C@H]1Cc2cccc(C(N)=O)c2OB1N=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.38
▸ MAPT P10636 1/20 0.30

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
SCHEMBL23837318 0.86 ACLY (0.30) —
SCHEMBL23837447 0.83 MAPT (0.32) MAPT
SCHEMBL23837341 0.82 TSHR (0.32) MAPT
SCHEMBL23837337 0.80 AAK1 (0.33) MAPT
SCHEMBL17337066 0.80 MAPT (0.32) MAPT
SCHEMBL17337064 0.80 MAPT (0.32) MAPT
SCHEMBL23837335 0.76 CA1 (0.33) MAPT
SCHEMBL23837356 0.75 — —
SCHEMBL23837541 0.75 TSHR (0.34) MAPT
SCHEMBL23837452 0.74 MTNR1A (0.33) —

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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