SCHEMBL29957193

SCHEMBL29957193

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
HKDC1 Q2TB90 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL3759687 1.00 KMT2A (0.51) KMT2AHTTMEN1HPGDNPSR1
SCHEMBL29954895 0.85 ATM (0.45) KMT2AHTTMEN1HPGDNPSR1
SCHEMBL4604584 0.85 ATM (0.63) KMT2AHTTMEN1HPGDNPSR1
SCHEMBL29957392 0.84 ALDH1A1 (0.44) KMT2AHTTHPGDATML3MBTL1
SCHEMBL14282753 0.82 ALDH1A1 (0.53) KMT2AHTTMEN1ATML3MBTL1
SCHEMBL3784889 0.81 ALDH1A1 (0.41) KMT2AHTTHPGDSMN1; SMN2MAPT
SCHEMBL29563535 0.80 TP53 (0.51) KMT2AMEN1SMN1; SMN2CYP3A4TP53
SCHEMBL559935 0.80 TP53 (0.51) KMT2AMEN1SMN1; SMN2CYP3A4TP53
SCHEMBL3319951 0.79 CYP3A4 (0.70) KMT2ASMN1; SMN2CYP3A4TP53ALDH1A1
SCHEMBL13307458 0.79 ATM (0.56) KMT2AHTTMEN1HPGDNPSR1

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