SCHEMBL23400730

SCHEMBL23400730

CC(C)(C)c1nn(-c2ccccc2)c(O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
MAPK14 Q16539 5/20 0.40
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
RIPK2 O43353 2/20 0.36
JAK2 O60674 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 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
SCHEMBL25101322 0.89 CYP11B2 (0.41) ATMALDH1A1GRNSORT1MEN1
SCHEMBL23400995 0.85 CDK8 (0.43) ATMALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL23399463 0.83 RIPK2 (0.55) ATMALDH1A1KMT2AMAPK13MAPK12
SCHEMBL23401479 0.83 ATM (0.49) ATMALDH1A1GRNSORT1MEN1
SCHEMBL23401422 0.83 SMN1; SMN2 (0.46) ALDH1A1GRNSORT1MEN1KMT2A
SCHEMBL12428791 0.81 SMN1; SMN2 (0.45) ATMALDH1A1GRNSORT1MEN1
SCHEMBL23400733 0.80 MEN1 (0.48) ALDH1A1GRNSORT1MEN1KMT2A
SCHEMBL23399763 0.80 NPC1 (0.44) ATMALDH1A1GRNSORT1MEN1
SCHEMBL23399034 0.79 ALDH1A1 (0.41) ATMALDH1A1GRNSORT1MAPK13
SCHEMBL23401990 0.79 MAPK14 (0.40) ATMALDH1A1KMT2AMAPK13MAPK12

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