SCHEMBL23401185

SCHEMBL23401185

CCc1c(N)c(=O)n(-c2cccc(C)c2)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
PTGS2 P35354 1/20 0.47
HSP90AA1 P07900 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
LMNA P02545 1/20 0.37
HSD11B1 P28845 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 1/20 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
SCHEMBL23400086 0.88 BCHE (0.53) BCHEPTGS2MEN1KMT2ALMNA
SCHEMBL23400840 0.87 BCHE (0.50) BCHEPTGS2MEN1KMT2AL3MBTL1
SCHEMBL23400760 0.82 BCHE (0.59) BCHEPTGS2HSP90AA1MGLLMEN1
SCHEMBL23401173 0.82 BCHE (0.59) BCHEPTGS2HSP90AA1MGLLMEN1
SCHEMBL23402981 0.79 BCHE (0.48) BCHEPTGS2MGLLMEN1KMT2A
SCHEMBL23400565 0.79 PTGS2 (0.48) BCHEPTGS2HSP90AA1MGLLMEN1
SCHEMBL23402987 0.78 BCHE (0.47) BCHEPTGS2HSP90AA1MGLLMEN1
SCHEMBL23401456 0.78 MAPT (0.43) BCHEPTGS2MEN1KMT2ALMNA
SCHEMBL23398749 0.76 BCHE (0.54) BCHEPTGS2MEN1KMT2ALMNA
SCHEMBL17035250 0.76 PTGS2 (0.63) BCHEPTGS2MEN1KMT2ALMNA

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