SCHEMBL8985348

SCHEMBL8985348

CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.51
PTGS1 P23219 5/20 0.51
KIF11 P52732 4/20 0.49
KDM4E B2RXH2 1/20 0.47
MT-CO1 P00395 1/20 0.47
MT-CO2 P00403 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAP2K4 P45985 1/20 0.42
NR3C1 P04150 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL8985270 0.83 PTGS2 (0.69) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985442 0.79 MAPK14 (0.64) PTGS2PTGS1KIF11KDM4EMT-CO1
SCHEMBL8985287 0.78 PTGS2 (0.56) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985500 0.77 PTGS2 (0.50) PTGS2PTGS1KIF11KDM4EMT-CO1
SCHEMBL8985285 0.77 PTGS2 (0.52) PTGS2PTGS1KIF11KDM4EMT-CO1
SCHEMBL8985502 0.76 PTGS2 (0.51) PTGS2PTGS1KIF11KDM4EMT-CO1
SCHEMBL8985334 0.76 PTGS2 (0.50) PTGS2PTGS1KIF11KDM4EMT-CO1
SCHEMBL4659812 0.74 KIF11 (0.66) PTGS2PTGS1KIF11KDM4EHPGD
SCHEMBL8985504 0.73 PTGS2 (0.66) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985420 0.73 PTGS2 (0.50) PTGS2PTGS1KDM4EMT-CO1MT-CO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed