SCHEMBL29954778

SCHEMBL29954778

Cc1cccc2c(C=O)c(-c3ccccc3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
RPA1 P27694 1/20 0.49
MCL1 Q07820 1/20 0.49
KIF11 P52732 1/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
AHR P35869 1/20 0.42
MAPT P10636 2/20 0.40
PIM1 P11309 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL15330850 0.89 TRIM24 (0.43) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL5635400 0.87 TNKS (0.43) KDM4EKIF11TRIM24TRIM33AHR
SCHEMBL15332841 0.87 TNKS2 (0.43) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL15330118 0.87 KDM4E (0.44) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL15331976 0.86 CCNB2 (0.47) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL15332325 0.84 TNKS2 (0.46) KDM4ERPA1MCL1TRIM24TRIM33
SCHEMBL15330854 0.84 TRIM24 (0.39) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL15330627 0.84 ALOX5 (0.43) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL15330398 0.84 TRIM24 (0.39) KDM4ERPA1MCL1KIF11TRIM24
SCHEMBL15331414 0.84 TRIM24 (0.39) KDM4ERPA1MCL1KIF11TRIM24

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