SCHEMBL5310299

SCHEMBL5310299

Cc1c(NS(=O)(=O)c2cccc(Cl)c2Cl)c2cc(Cl)ccc2n1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.53
AKR1B1 P15121 4/20 0.47
PTGES2 Q9H7Z7 1/20 0.45
CCR4 P51679 1/20 0.44

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
SCHEMBL5311153 0.93 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL5312227 0.90 CCR4 (0.46) PTGDR2PTGES2CCR4
SCHEMBL5311159 0.87 PTGDR2 (0.49) PTGDR2AKR1B1
SCHEMBL5313725 0.82 KMT2A (0.51) PTGDR2
SCHEMBL5310742 0.82 PTGDR2 (0.60) PTGDR2AKR1B1
SCHEMBL5313192 0.82 PTGDR2 (0.48) PTGDR2
SCHEMBL5313741 0.81 PTGDR2 (0.54) PTGDR2AKR1B1
SCHEMBL5311186 0.81 PTGDR2 (0.53) PTGDR2AKR1B1
SCHEMBL5313125 0.80 PTGDR2 (0.55) PTGDR2AKR1B1
SCHEMBL5313791 0.80 PTGDR2 (0.59) 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-2007045867-A1 3 -AMINOINDOLE COMPOUNDS AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045867-A1 3 -AMINOINDOLE COMPOUNDS AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2007-04-26 WO disclosed