SCHEMBL29952544

SCHEMBL29952544

O=Cc1c[nH]c2c(-c3ccncc3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
IMPDH2 P12268 5/20 0.50
PIM3 Q86V86 7/20 0.47
PIM1 P11309 6/20 0.47
KMT2A Q03164 1/20 0.46
PIM2 Q9P1W9 2/20 0.46
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2A6 P11509 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
PIK3CD O00329 1/20 0.43
TDO2 P48775 1/20 0.37
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL29955201 0.84 TRIM24 (0.50) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL15329804 0.82 TRIM24 (0.54) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL15332515 0.77 TRIM24 (0.51) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL29954181 0.76 CYP2A6 (0.54) IMPDH2PIM3PIM1KMT2APIM2
SCHEMBL28578011 0.75 TRIM24 (0.50) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL29639078 0.75 TRIM24 (0.50) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL29639077 0.75 TRIM24 (0.50) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL29954763 0.75 TRIM24 (0.70) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL15332180 0.74 TRIM24 (0.55) TRIM24TRIM33IMPDH2PIM3PIM1
SCHEMBL29955386 0.72 TRIM24 (0.66) TRIM24TRIM33IMPDH2PIM3PIM1

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