SCHEMBL23399080

SCHEMBL23399080

Cc1ccc(-n2nc(C(C)(C)C)c(O)c2C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.38
MAPK14 Q16539 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
RIPK2 O43353 2/20 0.33
ATM Q13315 1/20 0.33
ESR1 P03372 1/20 0.33
PRKCZ Q05513 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 1/20 0.33
NLRP1 Q9C000 1/20 0.33

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 0.86 ATM (0.43) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23402964 0.84 LMNA (0.38) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23399142 0.83 RIPK2 (0.52) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23400423 0.81 CDK8 (0.41) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23400899 0.81 MEN1 (0.41) ALDH1A1ESR1MAPTTP53HPGD
SCHEMBL23399750 0.80 CDK8 (0.40) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23401290 0.79 CDK8 (0.41) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23401356 0.78 CACNA1H (0.36) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23400754 0.77 ESR1 (0.42) ALDH1A1CNR1ESR1MAPTTP53
SCHEMBL23402094 0.77 PTGS2 (0.43) CDK8MAPK14ALDH1A1ATMESR1

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