SCHEMBL9268407

SCHEMBL9268407

O=C(CNC(c1ccccc1)[N+](=O)[O-])Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
MC4R P32245 1/20 0.38
GSR P00390 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
MGLL Q99685 1/20 0.36
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8930553 0.82 GSR (0.40) ALDH1A1MEN1KMT2AGSRL3MBTL1
SCHEMBL4680133 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL513919 0.72 GSR (0.44) ALDH1A1MEN1KMT2AGSRL3MBTL1
SCHEMBL3122035 0.70 ALOX5 (0.42) EGFRERBB2ALOX5ALDH1A1MEN1
SCHEMBL28453765 0.70 EGFR (0.51) EGFRERBB2ALOX5ALDH1A1MEN1
SCHEMBL17674029 0.70 EGFR (0.45) EGFRERBB2ALOX5ALDH1A1MEN1
SCHEMBL2029476 0.70 MAPT (0.41) ALDH1A1MEN1KMT2AGSRL3MBTL1
SCHEMBL6691168 0.70 EGFR (0.50) EGFRERBB2ALOX5ALDH1A1MEN1
SCHEMBL27290814 0.70 EGFR (0.42) EGFRERBB2ALOX5ALDH1A1MEN1
SCHEMBL1306532 0.69 SIGMAR1 (0.42) ALDH1A1MEN1KMT2AGSRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644887-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID. SMITHKLINE BEECHAM PLC (GB) 1995-03-29 EP disclosed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO disclosed