SCHEMBL29954496

SCHEMBL29954496

Cc1ccc2oc(N)c(C=O)c(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 1.00
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 1/20 0.68
MAPK1 P28482 1/20 0.68
KDM4E B2RXH2 6/20 0.62
THRB P10828 1/20 0.62
MAPT P10636 7/20 0.43
NQO1 P15559 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL30947813 0.81 KMT2A (1.00) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL29951128 0.81 KMT2A (0.68) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL29950811 0.81 MEN1 (0.68) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL29956923 0.81 KMT2A (1.00) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL11360521 0.81 MEN1 (0.68) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL30940281 0.81 ALPG (0.68) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL13978669 0.81 ALPG (0.68) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL10823592 0.81 ALPG (0.68) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL11377296 0.81 MAPK1 (1.00) ALPGMEN1KMT2ALMNAMAPK1
SCHEMBL29096713 0.81 ALPG (0.68) ALPGMEN1KMT2ALMNAMAPK1

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