SCHEMBL23399528

SCHEMBL23399528

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RPA1 P27694 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
STAT1 P42224 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
SPR P35270 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL23398517 0.91 RPA1 (0.52) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23401935 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23398925 0.86 SMN1; SMN2 (0.55) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL23403042 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTLMNARPA1
SCHEMBL23402246 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTRPA1NPC1
SCHEMBL23401520 0.85 RPA1 (0.49) ALDH1A1L3MBTL1MAPTLMNARPA1
SCHEMBL23403220 0.85 RPA1 (0.49) ALDH1A1L3MBTL1MAPTLMNARPA1
SCHEMBL23401877 0.84 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1MAPTLMNAMAPK1
SCHEMBL23400744 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTLMNARPA1
SCHEMBL23402232 0.82 CYP1A2 (0.45) ALDH1A1L3MBTL1MAPTLMNAMAPK1

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