SCHEMBL23401692

SCHEMBL23401692

Cc1cccc(-n2nc(C(C)(C)C)cc2O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.57
MAPK13 O15264 8/20 0.57
MAPK12 P53778 8/20 0.57
MAPK11 Q15759 8/20 0.57
DDR2 Q16832 3/20 0.54
MAPK9 P45984 3/20 0.54
RIPK2 O43353 1/20 0.49
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
RPA1 P27694 1/20 0.43
CDK8 P49336 1/20 0.43
PRKCZ Q05513 1/20 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
SCHEMBL25541972 0.86 PTGS1 (0.47) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL16788814 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL23398880 0.85 CDK8 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14949174 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL9963869 0.83 GRN (0.66) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL1013681 0.83 ALDH1A1 (0.67) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL16749343 0.81 GRN (0.76) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5048482 0.80 RIPK2 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL23403503 0.80 ALDH1A1 (0.67) RIPK2ALDH1A1L3MBTL1RPA1
SCHEMBL12982712 0.79 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11DDR2

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed