SCHEMBL7969242

SCHEMBL7969242

CCOC(=O)CN(Cc1ccccc1)C(=O)C(=O)C1CNc2cc(OC)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
PIN1 Q13526 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
CHRM5 P08912 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL7981280 0.88 PIN1 (0.40) TP53MAPTPIN1L3MBTL1LMNA
SCHEMBL7981921 0.85 TSHR (0.40) MAPTTSHRNPC1RAB9ALMNA
SCHEMBL7979068 0.79 PDE2A (0.40) TP53MAPTTSHRL3MBTL1ALDH1A1
SCHEMBL7982554 0.76 SLC6A9 (0.40) NPC1RAB9A
SCHEMBL13896765 0.73 MEN1 (0.41) TSHRLMNAALDH1A1KDM4ENPSR1
SCHEMBL7980506 0.73 GAA (0.42) TSHRLMNAALDH1A1KDM4ENPSR1
SCHEMBL7089442 0.73 HSPA1A (0.45) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL7945107 0.73 POLB (0.36) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL7944573 0.72 TDP1 (0.37) TP53MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL7938360 0.72 POLB (0.36) MAPTNPC1RAB9AL3MBTL1ALDH1A1

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-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed