SCHEMBL29954426

SCHEMBL29954426

Nc1cccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.49
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
GPR35 Q9HC97 1/20 0.36
PDE7A Q13946 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL9417632 0.86 ERN1 (0.57) ERN1MEN1KMT2AALDH1A1TDP1
SCHEMBL11048252 0.83 MEN1 (0.40) ERN1MEN1KMT2AUSP2KEAP1
SCHEMBL11551067 0.81 TDP1 (0.52) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL3390153 0.81 TDP1 (0.52) MEN1KMT2AUSP2KEAP1NFE2L2
Hydrochloric Acid SCHEMBL5914596 0.79 TDP1 (0.50) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL21685403 0.79 ALDH1A1 (0.40) ERN1MEN1KMT2AUSP2KEAP1
SCHEMBL28586114 0.79 MEN1 (0.37) ERN1MEN1KMT2AUSP2KEAP1
SCHEMBL196088 0.78 ERN1 (0.65) ERN1MEN1KMT2AALDH1A1TDP1
SCHEMBL2841960 0.78 ERN1 (0.50) ERN1MEN1KMT2AALDH1A1TDP1
SCHEMBL27985682 0.78 ERN1 (0.50) ERN1MEN1KMT2AALDH1A1TDP1

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