SCHEMBL19333319

SCHEMBL19333319

COc1ccc(NS(=O)(=O)C(F)(F)F)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
SLC22A12 Q96S37 2/20 0.48
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.43
CA2 P00918 5/20 0.42
CA1 P00915 2/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
LPAR1 Q92633 2/20 0.40
PGR P06401 1/20 0.39
SHMT2 P34897 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2737218 0.82 L3MBTL1 (0.56) PTGS1PTGS2SLC22A12GAAHSD17B10
SCHEMBL19333346 0.81 CA2 (0.47) PTGS1PTGS2SLC22A12CA2CA1
SCHEMBL17917629 0.81 PTGS1 (0.54) PTGS1PTGS2SLC22A12GAAPTPN1
SCHEMBL29594713 0.79 ALDH1A1 (0.56) PTGS1PTGS2SLC22A12MAPTKMT2A
SCHEMBL13129161 0.75 L3MBTL1 (0.64) PTGS1PTGS2SLC22A12CA2CA1
SCHEMBL19364119 0.75 GAA (0.64) GAAHSD17B10MAPTKMT2AMEN1
SCHEMBL19407723 0.73 CYP2D6 (0.51) GAAHSD17B10MAPTCA2CA1
SCHEMBL10416897 0.72 PTGS1 (0.58) PTGS1PTGS2SLC22A12PTPN1KMT2A
SCHEMBL15116359 0.72 PTPN1 (0.73) PTGS1PTGS2SLC22A12GAAMAPT
SCHEMBL10933116 0.70 ALDH1A1 (0.43) PTGS1PTGS2GAAHSD17B10CA2

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-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed