SCHEMBL23401413

SCHEMBL23401413

Cc1ccccc1-n1nc(O)c(C(C)(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
WNT3A P56704 1/20 0.36
MAPT P10636 1/20 0.36
NOTUM Q6P988 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL23401602 0.86 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23402662 0.82 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23399114 0.82 ALDH1A1 (0.45) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401989 0.82 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401233 0.80 KDM4C (0.47) ALDH1A1HTTKMT2AMAPTPDE4D
SCHEMBL23399308 0.80 ALDH1A1 (0.40) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401050 0.80 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400336 0.80 ALDH1A1 (0.43) MAPK14ALDH1A1TSHRHTTKMT2A
SCHEMBL23402846 0.77 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23399634 0.77 HTT (0.43) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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