SCHEMBL23399142

SCHEMBL23399142

Cc1cccc(-n2nc(C(C)(C)C)c(O)c2C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.52
ALDH1A1 P00352 2/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK9 P45984 1/20 0.38
DDR2 Q16832 1/20 0.38
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKCZ Q05513 1/20 0.38
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL23398818 0.84 ATM (0.43) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400883 0.83 ALDH1A1 (0.49) RIPK2ALDH1A1RPA1L3MBTL1KCNJ6
SCHEMBL23401145 0.83 RIPK2 (0.56) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23399080 0.83 CDK8 (0.38) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401789 0.82 RIPK2 (0.55) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401975 0.81 RIPK2 (0.43) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23399376 0.81 RIPK2 (0.49) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23402111 0.78 ALDH1A1 (0.41) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23398917 0.78 RIPK2 (0.52) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400551 0.77 ALDH1A1 (0.45) RIPK2ALDH1A1MAPK14MAPK9DDR2

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