SCHEMBL23401145

SCHEMBL23401145

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.56
ALDH1A1 P00352 3/20 0.45
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK9 P45984 1/20 0.41
DDR2 Q16832 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RPA1 P27694 1/20 0.41
PRKCZ Q05513 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL23401789 0.87 RIPK2 (0.55) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400712 0.84 KDM4C (0.55) ALDH1A1KDM4CATMMAPTNPC1
SCHEMBL23399142 0.83 RIPK2 (0.52) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400066 0.83 RIPK2 (0.52) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23398917 0.83 RIPK2 (0.52) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23398544 0.82 RIPK2 (0.51) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23402156 0.82 RIPK2 (0.51) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400132 0.82 RIPK2 (0.56) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23400423 0.81 CDK8 (0.41) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23402128 0.81 ALDH1A1 (0.54) RIPK2ALDH1A1L3MBTL1RPA1KDM4C

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