SCHEMBL8338948

SCHEMBL8338948

COc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1[N+](=O)OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
GSK3B P49841 2/20 0.57
INSR P06213 3/20 0.53
IGF1R P08069 3/20 0.53
PIK3CG P48736 7/20 0.52
PDE4B Q07343 2/20 0.50
PDE3A Q14432 1/20 0.50
PIK3CA P42336 1/20 0.50
GSK3A P49840 1/20 0.46
MAOB P27338 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
CA2 P00918 1/20 0.46
NAT1 P18440 1/20 0.46

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
SCHEMBL5164183 0.90 GSK3B (0.67) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL3895202 0.90 GSK3B (0.67) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL3895207 0.90 GSK3B (0.67) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL6388201 0.87 HSPD1 (0.65) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL6388205 0.87 HSPD1 (0.65) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL13855592 0.85 HSPD1 (0.62) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL3896735 0.84 HSPD1 (0.61) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL3896737 0.84 HSPD1 (0.61) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL3904211 0.79 HSPD1 (0.72) HSPD1HSPE1GSK3BINSRIGF1R
SCHEMBL3904210 0.79 HSPD1 (0.72) HSPD1HSPE1GSK3BINSRIGF1R

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
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed