SCHEMBL29952619

SCHEMBL29952619

Cc1cccc2c(C=O)c(C3CC3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
AHR P35869 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KIF11 P52732 1/20 0.40
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.36
RPA1 P27694 1/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 1/20 0.35
CHEK1 O14757 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
CCNB2 O95067 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
SCHEMBL29951956 0.94 TRIM24 (0.41) TRIM24TRIM33AHRKDM4EKIF11
SCHEMBL29955079 0.82 MEN1 (0.43) AHRKDM4EKMT2AALDH1A1MEN1
SCHEMBL29952259 0.82 STING1 (0.36) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL29954635 0.82 PIM1 (0.43) AHRKDM4EALDH1A1CCNB2CDK1
SCHEMBL29953449 0.82 FEN1 (0.38) ALDH1A1GSK3BCDK5CDK5R1
SCHEMBL29955208 0.81 ALDH1A1 (0.56) KDM4EMAPTKMT2AGAAALDH1A1
SCHEMBL29955402 0.80 MAPT (0.44) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL29956762 0.78 PIM1 (0.47) KDM4EKIF11KMT2AALDH1A1POLB
SCHEMBL29955666 0.78 KDM4E (0.41) KDM4EMAPTKMT2AMEN1
SCHEMBL29954088 0.77 AHR (0.58) TRIM24TRIM33AHRKDM4EKIF11

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