SCHEMBL23402467

SCHEMBL23402467

Cc1c(N)c(=O)n(C2CCCCC2)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
PTGS2 P35354 1/20 0.51
ALOX15 P16050 3/20 0.41
GAA P10253 1/20 0.41
GRM1 Q13255 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL23401070 0.99 BCHE (0.53) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23402352 0.89 BCHE (0.55) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23398632 0.87 BCHE (0.56) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23400271 0.83 BCHE (0.39) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23401272 0.82 CNR1 (0.40) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23402157 0.82 BCHE (0.40) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23401379 0.82 ALDH1A1 (0.41) BCHEPTGS2ALOX15GAAALDH1A1
SCHEMBL23399419 0.81 PDE4A (0.40) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23400289 0.80 ALDH1A1 (0.40) BCHEPTGS2ALOX15GAAGRM1
SCHEMBL23403374 0.78 ALDH1A1 (0.41) ALOX15GAAGRM1ALDH1A1TP53

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