SCHEMBL23402255

SCHEMBL23402255

Cc1cccc(-n2nc(O)cc2C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK9 P45984 1/20 0.42
DDR2 Q16832 1/20 0.42
RPA1 P27694 1/20 0.42
PRKCZ Q05513 1/20 0.41
GAA P10253 1/20 0.40
SCN9A Q15858 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39

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
SCHEMBL23401799 0.83 ALDH1A1 (0.64) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14949174 0.83 MAPK14 (0.54) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23402034 0.82 CNR1 (0.52) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400514 0.80 ALDH1A1 (0.51) RIPK2ALDH1A1LMNATP53MAPT
SCHEMBL23398512 0.77 RIPK2 (0.47) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400885 0.77 ALDH1A1 (0.49) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401692 0.76 MAPK14 (0.57) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401789 0.76 RIPK2 (0.55) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23402330 0.76 RIPK2 (0.46) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400676 0.75 RPA1 (0.58) RIPK2ALDH1A1LMNATP53MAPT

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