SCHEMBL29953558

SCHEMBL29953558

Cc1ccc(C)c2c(C=O)n[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK1 O14757 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3607855 0.76 TRIM24 (0.50) KDM4ETRIM24TRIM33MEN1MAPT
SCHEMBL12016953 0.74 MAPK1 (0.47) KDM4ETRIM24TRIM33MEN1MAPT
SCHEMBL29957225 0.74 MAPK1 (0.47) KDM4ETRIM24TRIM33MEN1MAPT
SCHEMBL11745813 0.69 KDR (0.42) KDM4EMEN1MAPTKMT2ACHEK1
SCHEMBL29956358 0.67 GRIN2D (0.35) KDM4EMEN1MAPTKMT2A
SCHEMBL24159715 0.66 PDPK1 (0.33)
SCHEMBL29953410 0.63 CYP1A2 (0.46) KDM4ETRIM24TRIM33MEN1MAPT
SCHEMBL13122188 0.63 MEN1 (0.36) MEN1MAPTKMT2ACHEK1CYP1A2
SCHEMBL13632256 0.63 GRIA1 (0.36) KDM4EMEN1MAPTKMT2ACHEK1
SCHEMBL4705385 0.61

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