SCHEMBL28045484

SCHEMBL28045484

CC(=O)c1ccc2c(c1)Sc1ccccc1N2C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 5/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR1A P08908 3/20 0.48
DRD3 P35462 3/20 0.48
ADRA2A P08913 2/20 0.48
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
ADRA1A P35348 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 2/20 0.48
PRNP P04156 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL16492910 0.84 NOX1 (0.83) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL27840689 0.80 LMNA (0.59) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL627482 0.79 MAOA (0.58) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL30184394 0.79 MAOA (0.58) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL27913832 0.78 LMNA (0.61) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL10370775 0.76 HTR1A (0.58) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL8711321 0.75 BCHE (0.41) NOX1LMNAMAPTMAPK1L3MBTL1
SCHEMBL8711615 0.75 PTGS1 (0.45) NOX1LMNAMAPTMAPK1L3MBTL1
SCHEMBL28045616 0.75 HTR1A (0.64) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL1983443 0.75 NOX1 (1.00) NOX1LMNAMAPTMAPK1TDP1

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
CN-105218480-A A kind of 1-(N-alkyl phenothiazinyl)-1-methyl (H)-2-replaces the preparation method of Schiff UNIV SHAANXI SCIENCE & TECH 2016-01-06 CN disclosed