SCHEMBL6850709

SCHEMBL6850709

CC(=O)C(C)c1ccc2c(c1)N(C)c1ccccc1S2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAOA P21397 1/20 0.53
BCHE P06276 7/20 0.49
HTR2C P28335 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2B P41595 2/20 0.49
HTR1A P08908 1/20 0.49
ADRB3 P13945 1/20 0.49
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 0.49
MEN1 O00255 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL10618628 0.92 NOX1 (0.58) NOX1L3MBTL1LMNAMAPTMAPK1
SCHEMBL15101211 0.85 NOX1 (0.54) NOX1L3MBTL1LMNAMAPTMAPK1
SCHEMBL8609171 0.82 MAOA (0.59) NOX1L3MBTL1LMNAMAPTMAPK1
SCHEMBL1102432 0.82 MAOA (0.63) NOX1L3MBTL1LMNAMAPTMAPK1
SCHEMBL9778268 0.78 L3MBTL1 (0.52) NOX1L3MBTL1LMNAMAPTMAPK1
SCHEMBL1983443 0.77 NOX1 (1.00) NOX1L3MBTL1LMNAMAPTMAPK1
Protizinic Acid SCHEMBL29359535 0.75 AKR1C3 (0.54) LMNAMAPTMAPK1MEN1KMT2A
Protizinic Acid SCHEMBL18309842 0.75 AKR1C3 (0.54) LMNAMAPTMAPK1MEN1KMT2A
Protizinic Acid SCHEMBL25022 0.75 AKR1C3 (0.54) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL24457998 0.74 MAOA (0.51) NOX1L3MBTL1LMNAMAPTMAPK1

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-2011058346-A1 TREATMENT OF MICROBIAL INFECTIONS BIOCOPEA LIMITED (GB) 2011-05-19 WO disclosed