SCHEMBL23400360

SCHEMBL23400360

CCc1nn(-c2ccccc2)c(O)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
MAPK14 Q16539 4/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
JAK2 O60674 1/20 0.39
KHK P50053 4/20 0.39
MAPT P10636 1/20 0.37
NR4A3 Q92570 1/20 0.37

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
SCHEMBL23401920 0.88 USP2 (0.43) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23398722 0.86 CDK8 (0.44) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL23399349 0.85 PDE4A (0.41) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23401635 0.84 MAPK14 (0.46) ALDH1A1MAPK1L3MBTL1LMNAMAPK13
SCHEMBL23401845 0.84 CACNA1H (0.39) ALDH1A1MAPK1L3MBTL1GAAMAPK13
SCHEMBL23400573 0.81 MAPK14 (0.41) ALDH1A1MAPK1TSHRMAPK13MAPK12
SCHEMBL23400730 0.79 ATM (0.46) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL23401422 0.79 SMN1; SMN2 (0.46) ALDH1A1MAPK1GRNSORT1MAPT
SCHEMBL23402131 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23402601 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GAALMNA

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