SCHEMBL18993427

SCHEMBL18993427

C=CC(=O)Nc1cccc(S)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.65
F13A1 P00488 1/20 0.49
LMNA P02545 1/20 0.49
TGM1 P22735 1/20 0.49
TGM3 Q08188 1/20 0.49
EGFR P00533 6/20 0.48
JAK3 P52333 2/20 0.48
MAP2K7 O14733 1/20 0.48
AURKA O14965 1/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
ITK Q08881 4/20 0.47
BTK Q06187 3/20 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
SCHEMBL4103284 0.87 TGM2 (0.76) TGM2F13A1LMNATGM1TGM3
SCHEMBL1119155 0.80 TGM2 (0.67) TGM2F13A1LMNATGM1TGM3
SCHEMBL17397388 0.80 TGM2 (0.67) TGM2F13A1LMNATGM1TGM3
SCHEMBL29380510 0.80 TGM2 (0.67) TGM2F13A1LMNATGM1TGM3
SCHEMBL1380349 0.79 TGM2 (0.65) TGM2BTK
SCHEMBL8472105 0.79 TGM2 (0.65) TGM2LMNAEGFRBTK
SCHEMBL1381249 0.79 TGM2 (1.00) TGM2F13A1LMNATGM1TGM3
SCHEMBL22600367 0.79 TGM2 (0.65) TGM2F13A1LMNATGM1TGM3
SCHEMBL2318657 0.79 TGM2 (0.65) TGM2F13A1LMNATGM1TGM3
SCHEMBL6355891 0.79 TGM2 (0.65) TGM2EGFRLPAR1LPAR2

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
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed