SCHEMBL23399819

SCHEMBL23399819

Cc1cccc(-c2nn(-c3cccc(C)c3)c(O)c2CC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
RPA1 P27694 2/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
GLA P06280 3/20 0.36
HPGD P15428 3/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 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
SCHEMBL23399798 0.94 RPA1 (0.45) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23399877 0.94 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23401184 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23402784 0.91 L3MBTL1 (0.45) ALDH1A1L3MBTL1NPC1RAB9ANFKB1
SCHEMBL23401841 0.91 CA1 (0.39) ALDH1A1L3MBTL1RPA1SMN1; SMN2TP53
SCHEMBL23402721 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23401169 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23399099 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1RPA1NPC1RAB9A
SCHEMBL23399461 0.83 SMN1; SMN2 (0.37) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL23402951 0.83 SRC (0.47) ALDH1A1NPC1RAB9ANFKB1NFKB2

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