SCHEMBL23399790

SCHEMBL23399790

CC(C)Cc1nn(-c2ccccc2)c(O)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.43
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
CACNA1G O43497 3/20 0.39
KCNH2 Q12809 3/20 0.39
HTR6 P50406 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 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
SCHEMBL23401855 0.87 KDM4E (0.37) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23403397 0.86 ALDH1A1 (0.48) CACNA1HALDH1A1GAAMAPK13MAPK12
SCHEMBL23399286 0.85 ALDH1A1 (0.40) CACNA1HALDH1A1GAAMAPK13MAPK12
SCHEMBL23402082 0.83 CACNA1H (0.47) CACNA1HALDH1A1GAACACNA1GKCNH2
SCHEMBL23402325 0.83 CACNA1H (0.41) CACNA1HALDH1A1GAACACNA1GKCNH2
SCHEMBL23401024 0.81 PDE4A (0.41) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL23398425 0.81 KDM4E (0.39) CACNA1HALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL23402620 0.81 ALDH1A1 (0.42) CACNA1HALDH1A1GAACACNA1GKCNH2
SCHEMBL23401016 0.80 ALDH1A1 (0.38) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL23403011 0.79 USP2 (0.42) CACNA1HALDH1A1GAACACNA1GKCNH2

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