SCHEMBL23400809

SCHEMBL23400809

CC(C)c1c(C(C)(C)C)nn(-c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK14 Q16539 4/20 0.38
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIPK2 O43353 1/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 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
SCHEMBL23403492 0.82 MAPK14 (0.38) ATMALDH1A1GAAMAPK13MAPK12
SCHEMBL23401479 0.79 ATM (0.49) ATMALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL23400730 0.79 ATM (0.46) ATMALDH1A1GAAMEN1HSP90AA1
SCHEMBL23399794 0.79 LMNA (0.52) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL23399015 0.79 ALDH1A1 (0.44) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL23398818 0.78 ATM (0.43) ATMALDH1A1GAAMEN1HSP90AA1
SCHEMBL23400608 0.78 ATM (0.40) ATMALDH1A1GAAMEN1HSP90AA1
SCHEMBL12428791 0.78 SMN1; SMN2 (0.45) ATMALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL17290319 0.77 MEN1 (0.48) ATMALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL23399763 0.76 NPC1 (0.44) ATMALDH1A1MEN1HSP90AA1KMT2A

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