SCHEMBL29956848

SCHEMBL29956848

Cc1cc(C)c2oc(N)c(C=O)c(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.60
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK2A2 P19784 9/20 0.41
CSNK2B P67870 9/20 0.41
CSNK2A1 P68400 9/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ERN1 O75460 1/20 0.37
NUDT1 P36639 1/20 0.36
CDK2 P24941 1/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 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
SCHEMBL11360823 1.00 ALPG (0.60) ALPGTHRBKDM4EMAPK1MEN1
SCHEMBL6470647 0.80 CSNK2A2 (0.44) ALPGTHRBMEN1KMT2ACSNK2A2
SCHEMBL6470649 0.77 CSNK2A2 (0.47) ALPGTHRBCSNK2A2CSNK2BCSNK2A1
SCHEMBL29954496 0.75 ALPG (1.00) ALPGTHRBKDM4EMAPK1MEN1
SCHEMBL13978669 0.74 ALPG (0.68) ALPGTHRBKDM4EMAPK1MEN1
SCHEMBL29952252 0.72 PTPN1 (0.51) ALPGTHRBKDM4EMAPK1MEN1
SCHEMBL29957041 0.72 CSNK2A2 (0.45) KDM4EMEN1KMT2ACSNK2A2CSNK2B
SCHEMBL29951231 0.70 ALPG (0.61) ALPGTHRBKDM4EMAPK1MEN1
SCHEMBL5373635 0.68 PTPN1 (0.54) KDM4EMEN1KMT2ACSNK2A2CSNK2B
SCHEMBL21623744 0.67 CSNK2A2 (0.49) THRBCSNK2A2CSNK2BCSNK2A1CDK2

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