SCHEMBL23401756

SCHEMBL23401756

Cc1ccc(-n2nc(CC(C)C)c(C(C)(C)C)c2O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
PAX8 Q06710 1/20 0.35
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 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
SCHEMBL23400882 0.85 CDK8 (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23403247 0.85 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23400025 0.84 ALDH1A1 (0.40) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23399604 0.84 RIPK2 (0.41) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23398533 0.83 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401747 0.83 ALDH1A1 (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401016 0.82 ALDH1A1 (0.38) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401845 0.81 CACNA1H (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401251 0.81 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401434 0.79 CYP1A2 (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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