SCHEMBL29683022

SCHEMBL29683022

O=Cc1c[nH]c2c1ccc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 11/20 0.61
PIM1 P11309 9/20 0.61
PIM2 Q9P1W9 2/20 0.61
TRIM24 O15164 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
CYP2A6 P11509 2/20 0.56
IMPDH2 P12268 1/20 0.56
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 1/20 0.44
KIF11 P52732 1/20 0.43

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
SCHEMBL13852619 1.00 PIM3 (0.61) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL14519078 0.82 PIM3 (0.65) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL29954763 0.79 TRIM24 (0.70) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL5438006 0.77 TET2 (0.56) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL28578011 0.77 TRIM24 (0.50) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL29639078 0.77 TRIM24 (0.50) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL3594684 0.76 CCNT1 (0.56) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL844764 0.76 PIM3 (1.00) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL29394851 0.76 PIM3 (1.00) PIM3PIM1PIM2TRIM24TRIM33
SCHEMBL29955386 0.76 TRIM24 (0.66) PIM3PIM1PIM2TRIM24TRIM33

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 2 patents. 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
WO-2022133480-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-23 WO disclosed