SCHEMBL29954726

SCHEMBL29954726

CNC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 3/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13600434 0.85 ALOX5 (0.57) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL12852871 0.85 ALOX5 (0.53) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL29955877 0.84 MAPT (0.45) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL29952942 0.84 MEN1 (0.45) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL15874264 0.84 SMN1; SMN2 (0.48) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL14282753 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL8297924 0.82 MEN1 (0.65) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL29955561 0.81 GAA (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1462874 0.81 HTT (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15269861 0.81 HDAC8 (0.47) ALDH1A1SMN1; SMN2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed