SCHEMBL29951118

SCHEMBL29951118

CC(=O)Nc1cc(B(O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.48
PDE7A Q13946 1/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
PKM P14618 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ALDH3A1 P30838 1/20 0.41
SLC9A1 P19634 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL13650005 0.88 MAPT (0.61) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL2248049 0.81 NPSR1 (0.48) NPSR1MAPTHTTKMT2APOLB
SCHEMBL10790188 0.80 HTT (0.68) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL22535975 0.80 CYP3A4 (0.55) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL11215556 0.80 NPSR1 (0.62) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL7866812 0.79 RAB9A (0.47) NPSR1MAPTKMT2ALMNAALDH1A1
SCHEMBL7866816 0.79 RAB9A (0.47) NPSR1MAPTKMT2ALMNAALDH1A1
SCHEMBL3790236 0.79 MAPT (0.47) MAPTKMT2APOLBALDH1A1HPGD
SCHEMBL1841366 0.78 NPSR1 (0.52) NPSR1MAPTHTTPDE7AKMT2A
SCHEMBL1551583 0.78 PDE7A (0.64) NPSR1MAPTHTTPDE7ALMNA

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