SCHEMBL23399249

SCHEMBL23399249

Cc1ccc(-n2nc(C(C)(C)C)c(O)c2-c2cccc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RIPK2 O43353 1/20 0.43
PTGS2 P35354 2/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 4/20 0.39

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
SCHEMBL23403526 0.92 NPC1 (0.48) L3MBTL1MEN1KMT2ARIPK2PTGS2
SCHEMBL23400066 0.91 RIPK2 (0.52) L3MBTL1MEN1KMT2ARIPK2PTGS2
SCHEMBL23400569 0.89 MAPT (0.44) L3MBTL1MEN1KMT2ARIPK2LMNA
SCHEMBL23398885 0.88 PTGS2 (0.52) PTGS2LMNAALDH1A1NPC1RAB9A
SCHEMBL23402156 0.87 RIPK2 (0.51) L3MBTL1MEN1KMT2ARIPK2PTGS2
SCHEMBL23402448 0.86 L3MBTL1 (0.52) L3MBTL1MEN1KMT2APTGS2LMNA
SCHEMBL23402094 0.86 PTGS2 (0.43) L3MBTL1MEN1KMT2APTGS2LMNA
SCHEMBL23398544 0.84 RIPK2 (0.51) L3MBTL1MEN1KMT2ARIPK2PTGS2
SCHEMBL23400833 0.82 PTGS2 (0.46) MEN1KMT2APTGS2LMNAALDH1A1
SCHEMBL23401825 0.82 ALDH1A1 (0.40) L3MBTL1RIPK2LMNAALDH1A1HPGD

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