SCHEMBL29952677

SCHEMBL29952677

CC(=O)Nc1ccc([N+](=O)[O-])c(B(O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 9/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 4/20 0.48
ALDH3A1 P30838 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MCL1 Q07820 1/20 0.45
PTK2B Q14289 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL11526803 0.83 HTT (0.71) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL10790188 0.81 HTT (0.68) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL358355 0.81 HTT (0.63) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL3164500 0.81 ALDH1A1 (0.66) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL1060190 0.80 KMT2A (0.49) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL1060188 0.80 KMT2A (0.49) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL9693477 0.80 HTT (0.58) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL9937593 0.79 HTT (0.66) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL8980342 0.79 HTT (0.61) HTTSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL4271625 0.79 HTT (0.61) HTTSMN1; SMN2MAPTMAPK1KMT2A

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