SCHEMBL29950808

SCHEMBL29950808

Cc1cccc(-c2[nH]c3c(F)cc(F)cc3c2C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOL1 O14791 11/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
FEN1 P39748 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
MAPK14 Q16539 1/20 0.34
TP53 P04637 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL2559575 0.91 PTGES (0.37) APOL1PTGESALOX5KDM4EALDH1A1
SCHEMBL29958310 0.88 CNR1 (0.41) APOL1GSK3AGSK3BALDH1A1LMNA
SCHEMBL15331128 0.88 L3MBTL1 (0.38) PTGESALOX5FEN1KDM4EALDH1A1
SCHEMBL2555973 0.88 MAP2 (0.42) APOL1PTGESALOX5FEN1KDM4E
SCHEMBL15333244 0.87 TP53 (0.41) PTGESALOX5CSNK1DCSNK1EMAPK14
SCHEMBL29956023 0.85 APOL1 (0.44) APOL1
SCHEMBL2558435 0.85 APOL1 (0.37) APOL1GSK3AGSK3BPTGESALOX5
SCHEMBL15331261 0.85 ALDH1A1 (0.41) APOL1KDM4EALDH1A1LMNAMAPT
SCHEMBL24884872 0.82 ACHE (0.38) APOL1GSK3AGSK3BPTGESALOX5
SCHEMBL2551809 0.82 PTGES (0.36) PTGESALOX5FEN1CSNK1DCSNK1E

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