SCHEMBL29953799

SCHEMBL29953799

CC(=O)Nc1cccc(B(O)O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.41
CASP6 P55212 1/20 0.40
PDE7A Q13946 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
MAOA P21397 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL190129 1.00 SMN1; SMN2 (0.45) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL1247252 0.81 PKM (0.56) SMN1; SMN2PKMKMT2AALDH1A1MAPT
SCHEMBL11620684 0.81 ALDH1A1 (0.58) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL6988984 0.80 MAPT (0.41) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL9793680 0.79 POLB (0.50) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL2656516 0.79 POLB (0.50) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL5369486 0.78 KMT2A (0.50) SMN1; SMN2KMT2AALDH1A1MAPTHTT
SCHEMBL14540415 0.78 RORC (0.46) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL29745000 0.76 ALDH1A1 (0.48) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL505209 0.76 ALDH1A1 (0.48) SMN1; SMN2PKMKMT2AALDH1A1HPGD

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