SCHEMBL27970100

SCHEMBL27970100

CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CCOC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.72
AKR1B1 P15121 8/20 0.72
CYP2C9 P11712 2/20 0.55
SLC6A4 P31645 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
SCHEMBL27695720 0.85 PTGDR2 (0.54) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL13206681 0.85 PTGDR2 (0.86) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL904388 0.85 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4
Azd1981 SCHEMBL1053662 0.84 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
Azd1981 SCHEMBL30538014 0.84 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL27970154 0.83 PTGDR2 (0.58) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL27695722 0.82 PTGDR2 (0.51) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL3767411 0.81 PTGDR2 (0.67) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL18457198 0.77 PTGDR2 (0.85) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1252345 0.75 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4

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
CN-102482214-B Intermediates and processes for preparing 4- (acetylamino) -3- [ (4-chloro-phenyl) thio ] -2-methyl-1H-indole-1-acetic acid ASTRAZENECA AB 2014-08-27 CN disclosed