SCHEMBL29956008

SCHEMBL29956008

O=Cc1c[nH]c2c(Cl)cc(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ERN1 O75460 3/20 0.38
PIM3 Q86V86 6/20 0.37
CYP2A6 P11509 2/20 0.37
IMPDH2 P12268 1/20 0.37
PIM1 P11309 4/20 0.36
PIM2 Q9P1W9 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL671157 0.82 ERN1 (0.44) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL29952505 0.79 TRIM24 (0.40) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL29956575 0.79 AR (0.42) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL29951658 0.79 PIM3 (0.44) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL29955987 0.77 ERN1 (0.47) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL29952672 0.76 ALDH1A1 (0.55) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL29957147 0.72 CYP2A6 (0.44) ERN1CYP2A6IMPDH2PLGPLAU
SCHEMBL29950839 0.72 TRIM24 (0.47) TRIM24TRIM33ERN1PIM3CYP2A6
SCHEMBL670824 0.71 TRIM24 (0.64) TRIM24TRIM33PIM3CYP2A6IMPDH2
SCHEMBL29952475 0.70 ERN1 (0.43) TRIM24TRIM33ERN1PIM3CYP2A6

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