SCHEMBL29952739

SCHEMBL29952739

Cc1cccc(-c2[nH]c3cc(F)cc(F)c3c2C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
MAPK14 Q16539 3/20 0.36
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ACHE P22303 1/20 0.33
SSTR5 P35346 1/20 0.33
NR1I3 Q14994 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CDC7 O00311 1/20 0.32
MEN1 O00255 1/20 0.32
AHR P35869 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29957654 0.88 ALDH1A1 (0.39) MAPK14MAPTALDH1A1LMNAHPGD
SCHEMBL29955797 0.85 KDM4E (0.38) MAPK14MAPTKDM4EALDH1A1PARP1
SCHEMBL2558538 0.85 PTGS2 (0.36) MAPK14ALDH1A1SSTR5MEN1AHR
SCHEMBL2559858 0.82 GPR17 (0.35) MAPTPARP1MEN1AHRKMT2A
SCHEMBL2559831 0.81 PTGS2 (0.34) MAPTPARP1MEN1AHRKMT2A
SCHEMBL29953952 0.81 KDM4E (0.37) MAPK14MAPTKDM4EALDH1A1LMNA
SCHEMBL29952426 0.80 LMNA (0.40) CSNK1DCSNK1EMAPK14MAPTKDM4E
SCHEMBL2555325 0.80 AHR (0.35) MAPTKDM4EHPGDPARP1NPC1
SCHEMBL29950808 0.80 APOL1 (0.37) CSNK1DCSNK1EMAPK14MAPTKDM4E
SCHEMBL29958596 0.79 FEN1 (0.39) CSNK1DCSNK1EMAPK14CDC7

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