SCHEMBL29954895

SCHEMBL29954895

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 3/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 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
SCHEMBL16238550 0.87 ATM (0.56) ATMKMT2AHTTMEN1HPGD
SCHEMBL29957193 0.85 KMT2A (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL3759687 0.85 KMT2A (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL20632883 0.81 TSHR (0.50) ATMKMT2AHTTMEN1HPGD
SCHEMBL7235160 0.80 NPC1 (0.56) ATMKMT2AHTTMEN1HPGD
SCHEMBL17064571 0.80 ATM (0.47) ATMKMT2AHTTMEN1HPGD
SCHEMBL17064867 0.80 ATM (0.47) ATMKMT2AHTTMEN1HPGD
SCHEMBL1462874 0.80 HTT (0.51) KMT2AHTTMEN1SMN1; SMN2ALDH1A1
SCHEMBL29957392 0.79 ALDH1A1 (0.44) ATMKMT2AHTTHPGDCYP3A4
SCHEMBL20632970 0.78 ATM (0.45) ATMKMT2AHTTMEN1HPGD

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