SCHEMBL23401169

SCHEMBL23401169

Cc1cccc(-n2nc(C)c(CC(C)C)c2O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 5/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
PLK1 P53350 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RPA1 P27694 1/20 0.39
SPR P35270 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
RIPK2 O43353 1/20 0.36

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
SCHEMBL23399099 0.88 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL23403496 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL23401146 0.85 NPC1 (0.50) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL23399819 0.84 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL23399032 0.84 RIPK2 (0.49) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL23398379 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL23400576 0.83 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL23399798 0.83 RPA1 (0.45) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL23401216 0.82 RAB9A (0.40) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL23399687 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1L3MBTL1LMNA

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