SCHEMBL10939697

SCHEMBL10939697

COc1ccccc1N(C)C(O)=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ENPP2 Q13822 1/20 0.39
LIPE Q05469 1/20 0.39
ESR1 P03372 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
ORAI1 Q96D31 1/20 0.38

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
SCHEMBL11751605 0.83 CA1 (0.43) TSPOCA1CA2CA12CA7
SCHEMBL8779753 0.81 TSPO (0.53) TSPOCA1CA2CA12CA7
SCHEMBL11527018 0.80 LMNA (0.53) TSPOCA1CA2CA12CA7
SCHEMBL10481539 0.79 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL12574308 0.78 TSPO (0.50) TSPOCA1CA2CA12CA7
SCHEMBL2536563 0.77 TSPO (0.67) TSPOCA1CA2CA12CA7
SCHEMBL514005 0.77 TSPO (0.45) TSPOCA1CA2CA12CA7
SCHEMBL7816426 0.76 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL10939691 0.76 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL9955764 0.76 TSPO (0.47) TSPOCA1CA2CA12CA7

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
US-4554015-A THIOCARBAMATES TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-11-19 US disclosed