SCHEMBL6512958

SCHEMBL6512958

Cc1c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2c(Cl)nccc2n1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.55
AKR1B1 P15121 4/20 0.49

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
SCHEMBL6512064 0.89 PTGDR2 (0.60) PTGDR2AKR1B1
SCHEMBL6512250 0.88 PTGDR2 (0.63) PTGDR2AKR1B1
SCHEMBL6509653 0.80 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL6512107 0.76 PTGDR2 (0.50) PTGDR2AKR1B1
SCHEMBL1384838 0.75 PTGDR2 (0.77) PTGDR2AKR1B1
SCHEMBL14630228 0.73 PTGDR2 (0.62) PTGDR2AKR1B1
SCHEMBL6514537 0.73 PTGDR2 (0.67) PTGDR2AKR1B1
SCHEMBL4902353 0.71 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL1386058 0.70 PTGDR2 (0.73) PTGDR2AKR1B1
SCHEMBL6509282 0.70 PTGDR2 (0.69) PTGDR2AKR1B1

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-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 WO claimed
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 WO disclosed