SCHEMBL10416620

SCHEMBL10416620

COc1ccc(Nc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
AKR1C3 P42330 5/20 0.57
AKR1C2 P52895 5/20 0.57
PTGS1 P23219 3/20 0.54
PTK2 Q05397 1/20 0.53
PTGS2 P35354 2/20 0.52
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3CG P48736 2/20 0.47
KEAP1 Q14145 1/20 0.47
PGR P06401 2/20 0.47
NR3C1 P04150 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47

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
SCHEMBL10952940 0.84 PTGS1 (0.60) GAAAKR1C3AKR1C2PTGS1PTK2
SCHEMBL7560567 0.80 KDM1A (0.66) PTK2PTGS2MAPTHSD17B10PIK3CG
Hydrochloric Acid SCHEMBL22716096 0.79 KMT2A (0.67) PTK2PTGS2MAPTHSD17B10PIK3CG
SCHEMBL27792302 0.79 PTGS1 (0.68) GAAPTGS1PTK2PTGS2MAPT
SCHEMBL10416623 0.79 PTGS1 (0.52) GAAPTGS1PTGS2MAPTKEAP1
SCHEMBL28888760 0.77 PTK2 (0.48) GAAPTGS1PTK2PTGS2MAPK1
SCHEMBL10416920 0.77 MAPK1 (0.56) PTGS1PTK2PTGS2MAPK1MAPT
SCHEMBL11152945 0.76 CA1 (0.56) GAAAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL10895905 0.75 AKR1C3 (0.59) GAAAKR1C3AKR1C2MAPK1MAPT
SCHEMBL10785269 0.74 GAA (0.70) GAAAKR1C3AKR1C2EGFRSRC

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-4954518-A Antiinflammatory agents TOYAMA CHEMICAL COMPANY, LTD. (JP) 1990-09-04 US disclosed