SCHEMBL23400232

SCHEMBL23400232

CCn1c(=O)c(N)c(C)n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
PTGS2 P35354 1/20 0.58
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK8 P45983 1/20 0.39
PGR P06401 1/20 0.39
GAA P10253 2/20 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
SCHEMBL23403330 0.87 BCHE (0.59) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL6260403 0.87 BCHE (0.63) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23399646 0.84 PTGS2 (0.56) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23401471 0.84 BCHE (0.55) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23400664 0.83 BCHE (0.54) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23400971 0.82 BCHE (0.45) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23400331 0.81 BCHE (0.44) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL3695114 0.80 BCHE (0.73) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL23402641 0.80 BCHE (0.43) BCHEPTGS2POLBALDH1A1ALOX15
SCHEMBL15780382 0.79 BRD9 (0.44) ALDH1A1CYP1A2HSD17B10GAAMAPT

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