SCHEMBL29952942

SCHEMBL29952942

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
ALOX5 P09917 3/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3071601 0.86 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL29954726 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1462874 0.81 HTT (0.51) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL17785885 0.81 TSHR (0.52) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL23641285 0.81 CYP3A4 (0.42) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL29955877 0.80 MAPT (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL15874264 0.80 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL17785611 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL14282753 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8297924 0.78 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTRAB9A

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