SCHEMBL29955820

SCHEMBL29955820

O=Cc1cnc(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.39
TYR P14679 2/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL13410344 1.00 ERN1 (0.39) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL7186781 0.78 ERN1 (0.43) ERN1TYRTRIM24TRIM33
SCHEMBL21459381 0.78 ERN1 (0.43) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL29958162 0.78 ERN1 (0.44) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL20330598 0.78 ERN1 (0.44) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL29955723 0.75 HCAR2 (0.44) ERN1KDM4EKMT2AL3MBTL1
SCHEMBL29951024 0.74 ERN1 (0.44) ERN1TRIM24TRIM33MEN1NPC1
SCHEMBL29956308 0.74 ERN1 (0.43) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL29952951 0.74 ERN1 (0.44) ERN1KDM4E
SCHEMBL7884492 0.74 ALDH1A1 (0.52) ERN1KDM4E

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