SCHEMBL23939724

SCHEMBL23939724

COc1ccc(F)c2c1B(O)OC2CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 4/20 0.43
RPS6KA1 Q15418 1/20 0.37
DRD2 P14416 3/20 0.34
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.33
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL23939725 0.91 RPS6KA1 (0.37) LARS1RPS6KA1EPAS1
SCHEMBL469421 0.90 LARS1 (0.45) LARS1RPS6KA1
SCHEMBL469420 0.90 LARS1 (0.45) LARS1RPS6KA1
SCHEMBL469422 0.90 LARS1 (0.45) LARS1RPS6KA1
SCHEMBL23939742 0.87 LARS1 (0.47) LARS1
SCHEMBL23939747 0.81 RPS6KA1 (0.40) LARS1RPS6KA1DRD2
SCHEMBL21570015 0.80 LARS1 (0.43) LARS1RPS6KA1
SCHEMBL19017151 0.78 LARS1 (0.47) LARS1
SCHEMBL23939741 0.78 LARS1 (0.46) LARS1
SCHEMBL469557 0.77 LARS1 (0.61) LARS1

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-3251678-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2021-10-20 EP disclosed