SCHEMBL23401101

SCHEMBL23401101

Cc1ccc(-c2c(-c3cccc(C)c3)nn(C)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TGFBR1 P36897 2/20 0.39
TDP2 O95551 1/20 0.39
IDO1 P14902 2/20 0.38
RIPK2 O43353 1/20 0.38
MAPK14 Q16539 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 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
SCHEMBL23402260 0.93 NPC1 (0.43) L3MBTL1MEN1KMT2ATDP2RIPK2
SCHEMBL23399642 0.86 SMN1; SMN2 (0.48) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23403034 0.86 SMN1; SMN2 (0.48) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23400422 0.86 MAPK14 (0.40) L3MBTL1MEN1KMT2ATDP2MAPK14
SCHEMBL23401890 0.84 KMT2A (0.51) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23403476 0.83 SRC (0.48) L3MBTL1MEN1KMT2AIDO1RIPK2
SCHEMBL23402246 0.83 ALDH1A1 (0.48) L3MBTL1MEN1KMT2AIDO1RIPK2
SCHEMBL23399866 0.82 MEN1 (0.40) L3MBTL1MEN1KMT2AIDO1RIPK2
SCHEMBL23400863 0.82 NPC1 (0.49) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23398748 0.81 TDP2 (0.42) L3MBTL1TGFBR1TDP2IDO1RIPK2

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