SCHEMBL29954088

SCHEMBL29954088

Cc1[nH]c2c(C)cccc2c1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KIF11 P52732 1/20 0.47
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHEK1 O14757 1/20 0.43
RPA1 P27694 1/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
BRPF1 P55201 1/20 0.38

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
SCHEMBL3242577 0.82 PIM1 (0.48) AHRTRIM24TRIM33MAPTKDM4E
SCHEMBL6218865 0.82 ALDH1A1 (0.48) AHRMAPTKMT2AKDM4EMEN1
SCHEMBL6218141 0.82 FEN1 (0.41) AHRTRIM24TRIM33MAPTKMT2A
SCHEMBL11850379 0.81 PIM1 (0.51) AHRTRIM24TRIM33MAPTKMT2A
SCHEMBL29956415 0.80 ALDH1A1 (0.62) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL15331976 0.80 CCNB2 (0.47) AHRTRIM24TRIM33MAPTKMT2A
SCHEMBL29954233 0.80 TRIM24 (0.45) AHRTRIM24TRIM33MAPTKMT2A
SCHEMBL29954778 0.78 KDM4E (0.51) AHRTRIM24TRIM33MAPTKMT2A
SCHEMBL15330850 0.77 TRIM24 (0.43) AHRTRIM24TRIM33MAPTKMT2A
SCHEMBL29952619 0.77 TRIM24 (0.43) AHRTRIM24TRIM33MAPTKMT2A

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