SCHEMBL29630233

SCHEMBL29630233

CCOC(=O)c1c(C#N)oc2ccc(OCc3cccnc3C(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.47
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC26A4 O43511 2/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL29095836 1.00 MAPT (0.49) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29095857 0.88 SLC26A4 (0.49) LMNASLC26A4POLBMEN1KMT2A
SCHEMBL29095725 0.88 PTGS2 (0.61) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29630215 0.88 PTGS2 (0.61) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29630302 0.88 SLC26A4 (0.49) LMNASLC26A4POLBMEN1KMT2A
SCHEMBL29630173 0.86 MAPT (0.49) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29095839 0.86 MAPT (0.49) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29630234 0.85 MAPT (0.48) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29095787 0.85 MAPT (0.48) MAPTL3MBTL1TSHRLMNAPTGS2
SCHEMBL29630281 0.85 MAPT (0.48) MAPTL3MBTL1TSHRLMNAPTGS2

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
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed