SCHEMBL29953366

SCHEMBL29953366

[C-]#[N+]c1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
PTGS2 P35354 2/20 0.45
CYP19A1 P11511 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL29954832 0.87 TDP1 (0.58) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL276717 0.83 HTT (0.60) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL31139772 0.83 HTT (0.60) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL8501645 0.82 HTT (0.58) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL10955241 0.81 HTT (0.57) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL11387243 0.81 HTT (0.57) HTTTDP1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL10949926 0.80 HTT (0.55) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL8977874 0.79 HTT (0.68) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL4606843 0.78 HTT (0.54) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL10836987 0.78 HTT (0.54) HTTTDP1LMNASMN1; SMN2PKM

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