SCHEMBL21698374

SCHEMBL21698374

C=CNC1Cc2cccc(C(=O)O)c2OB1N=O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 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
SCHEMBL21698472 0.84 PARP1 (0.34) PARP1
SCHEMBL23837340 0.77 HPGD (0.33) PARP1
SCHEMBL21698447 0.77 ALDH1A1 (0.31) —
SCHEMBL21698406 0.76 — —
SCHEMBL23837322 0.75 MTNR1A (0.32) —
SCHEMBL23837330 0.75 PARP1 (0.30) PARP1
SCHEMBL21698375 0.75 PARP1 (0.32) PARP1
SCHEMBL21698361 0.75 NAMPT (0.30) —
SCHEMBL21698368 0.74 SMYD3 (0.30) —
SCHEMBL21698364 0.74 ALDH1A1 (0.35) —

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-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 — — EP disclosed
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