SCHEMBL29958162

SCHEMBL29958162

O=Cc1cnc(Cl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.44
TYR P14679 2/20 0.36
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20330598 1.00 ERN1 (0.44) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL1389512 0.83 ERN1 (0.48) ERN1TRIM24TRIM33MEN1NPC1
SCHEMBL29955820 0.78 ERN1 (0.39) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL899188 0.78 TDP1 (0.45) ERN1KDM4EMEN1NPC1RAB9A
SCHEMBL29411195 0.78 TDP1 (0.45) ERN1KDM4EMEN1NPC1RAB9A
SCHEMBL13410344 0.78 ERN1 (0.39) ERN1TYRTRIM24TRIM33KDM4E
SCHEMBL29952308 0.75 ERN1 (0.35) ERN1
SCHEMBL7186781 0.75 ERN1 (0.43) ERN1TYRTRIM24TRIM33
SCHEMBL29954366 0.75 TDP1 (0.35) ERN1
SCHEMBL15332623 0.75 ERN1 (0.41) ERN1TRIM24TRIM33

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