SCHEMBL29951677

SCHEMBL29951677

COc1ccc(NC(C)=O)c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.56
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1161802 1.00 ERN1 (0.56) ERN1HSD17B1HSD17B2TRIM24TYR
SCHEMBL9768767 0.87 TRIM24 (0.56) ERN1HSD17B1HSD17B2TRIM24TYR
SCHEMBL17980719 0.87 ERN1 (0.56) ERN1TRIM24TYRTRIM33LMNA
SCHEMBL12472034 0.82 SMN1; SMN2 (0.52) ERN1LMNAALDH1A1MAPTMEN1
SCHEMBL18024095 0.81 ALDH1A1 (0.54) ERN1TRIM24TYRTRIM33HTT
SCHEMBL29954247 0.81 ERN1 (0.49) ERN1TRIM24TYRTRIM33TSHR
SCHEMBL28504582 0.80 ERN1 (0.58) ERN1TRIM24TYRTRIM33LMNA
SCHEMBL8887292 0.79 ALDH1A1 (0.59) ERN1TSHRALDH1A1KMT2AKDM4E
SCHEMBL23117837 0.79 CES2 (0.49) ERN1TRIM24TYRTRIM33HTT
SCHEMBL1289713 0.79 ALDH1A1 (0.49) ERN1TRIM24TYRTRIM33LMNA

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