SCHEMBL23399226

SCHEMBL23399226

CCCCc1nn(-c2cccc(C)c2)c(-c2cccc(C)c2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 3/20 0.42
RPA1 P27694 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 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
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 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
SCHEMBL23403159 0.94 RPA1 (0.44) ALDH1A1L3MBTL1TP53RPA1CNR1
SCHEMBL23402132 0.94 CNR1 (0.46) ALDH1A1L3MBTL1TP53RPA1CNR1
SCHEMBL23400037 0.93 ALDH1A1 (0.45) ALDH1A1L3MBTL1TP53RPA1MAPT
SCHEMBL23401496 0.92 L3MBTL1 (0.44) ALDH1A1L3MBTL1TP53CNR1CNR2
SCHEMBL23402947 0.92 MAPT (0.39) ALDH1A1L3MBTL1TP53RPA1MAPT
SCHEMBL23402835 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1TP53RPA1MAPT
SCHEMBL23401181 0.87 DPP4 (0.41) ALDH1A1TP53RPA1MAPTLMNA
SCHEMBL23402648 0.86 TP53 (0.47) ALDH1A1L3MBTL1TP53RPA1CNR1
SCHEMBL23401033 0.86 RPA1 (0.46) ALDH1A1L3MBTL1TP53RPA1MAPT
SCHEMBL23400920 0.85 LMNA (0.41) ALDH1A1L3MBTL1TP53RPA1MAPT

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