SCHEMBL8006299

SCHEMBL8006299

Cc1ccc(Sc2c(-c3ccc(S(C)(=O)=O)cc3)nc(I)n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.42
FAAH O00519 2/20 0.42
KCNH2 Q12809 1/20 0.42
PTGS1 P23219 4/20 0.41
LMNA P02545 1/20 0.39
PKM P14618 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
SCHEMBL1303082 0.89 FAAH (0.54) PTGS2FAAHKCNH2PTGS1
SCHEMBL12106068 0.78 FAAH (0.58) PTGS2FAAHKCNH2PTGS1
SCHEMBL1303953 0.78 FAAH (0.55) PTGS2FAAHKCNH2PTGS1
SCHEMBL12106019 0.74 FAAH (0.62) PTGS2FAAHKCNH2PTGS1
SCHEMBL1304339 0.73 FAAH (0.52) PTGS2FAAHKCNH2PTGS1
SCHEMBL1303196 0.73 FAAH (0.52) PTGS2FAAHKCNH2PTGS1
SCHEMBL8005584 0.72 FAAH (0.52) PTGS2FAAHKCNH2PTGS1
SCHEMBL13949922 0.72 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL1304370 0.71 FAAH (0.53) PTGS2FAAHKCNH2PTGS1
SCHEMBL12106262 0.71 FAAH (0.58) PTGS2FAAHKCNH2PTGS1

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-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed