SCHEMBL29956426

SCHEMBL29956426

Cc1ccc([N+](=O)[O-])c2[nH]cc(C=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ERN1 O75460 2/20 0.42
MAPT P10636 4/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
TSHR P16473 4/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP6 P55212 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2767098 1.00 TRIM24 (0.44) TRIM24TRIM33ERN1MAPTCYP3A4
SCHEMBL22531704 0.83 CASP6 (0.51) TRIM24TRIM33ERN1MAPTCYP3A4
SCHEMBL27566207 0.78 MAPT (0.34) ERN1MAPTCYP3A4HSD17B10ALDH1A1
SCHEMBL27174893 0.78 HSD17B10 (0.39) MAPTCYP3A4HSD17B10ALDH1A1KDM4E
SCHEMBL6537443 0.78 CASP6 (0.44) MAPTCYP3A4HSD17B10ALDH1A1KDM4E
SCHEMBL7661967 0.77 TRIM24 (0.50) TRIM24TRIM33ERN1MAPTALDH1A1
SCHEMBL6362825 0.77 CASP6 (0.44) TRIM24TRIM33ERN1MAPTCYP3A4
SCHEMBL21218382 0.76 TRIM24 (0.47) TRIM24TRIM33MAPTHSD17B10ALDH1A1
SCHEMBL29955708 0.76 CYP2A6 (0.47) TRIM24TRIM33MAPTALDH1A1KDM4E
SCHEMBL671969 0.76 TRIM24 (0.47) TRIM24TRIM33MAPTALDH1A1KDM4E

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