SCHEMBL29955548

SCHEMBL29955548

NCc1cccc(O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PNMT P11086 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
HSPA5 P11021 1/20 0.37
AKR1B1 P15121 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PADI4 Q9UM07 1/20 0.35
IDO1 P14902 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
SCHEMBL5429057 0.83 HSPA5 (0.50) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL4709719 0.82 ERN1 (0.46) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL1527075 0.82 GABRA1 (0.52) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL29951885 0.82 GABRA1 (0.52) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL4390000 0.80 ERN1 (0.41) ERN1TRIM24TRIM33CYP2D6TSHR
SCHEMBL14354428 0.78 ERN1 (0.39) ERN1TAAR1TRIM24TRIM33CYP2D6
SCHEMBL11334965 0.78 FOLH1 (0.43) ERN1TAAR1TRIM24TRIM33CYP2D6
SCHEMBL311198 0.78 ERN1 (0.54) ERN1TRIM24TRIM33FNTAFNTB
SCHEMBL166586 0.77 GABRA1 (0.52) ERN1TRIM24TRIM33AKR1B1MEN1
SCHEMBL1527068 0.77 IAPP (0.44) GABRA1GABRB2

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