SCHEMBL23401550

SCHEMBL23401550

Cc1ccc(-n2nc(C(C)(C)C)c(C)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.43
CDK8 P49336 1/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PTK2 Q05397 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 2/20 0.37
ATM Q13315 1/20 0.36
RIPK2 O43353 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL23401479 0.86 ATM (0.49) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400995 0.85 CDK8 (0.43) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL23402529 0.82 MAPK14 (0.40) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL23400132 0.81 RIPK2 (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23403150 0.81 MAPK14 (0.42) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL23400423 0.79 CDK8 (0.41) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL23399895 0.79 CYP2C9 (0.41) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL23401391 0.78 L3MBTL1 (0.44) ALDH1A1CYP2C9MAPTMEN1NPC1
SCHEMBL23399750 0.78 CDK8 (0.40) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL23400466 0.76 ALDH1A1 (0.52) MAPK14CDK8MAPK13MAPK12MAPK11

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