SCHEMBL5504281

SCHEMBL5504281

O=C(O)Cn1c(SCCCNS(=O)(=O)C(Cc2ccccc2)c2ccccc2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.61
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL5505498 0.91 PTGDR2 (0.64) PTGDR2MEN1KMT2A
SCHEMBL5111468 0.90 PTGDR2 (0.62) PTGDR2MEN1KMT2A
SCHEMBL5120709 0.85 PTGDR2 (0.71) PTGDR2MEN1KMT2A
SCHEMBL5500163 0.83 PTGDR2 (0.60) PTGDR2MEN1KMT2A
SCHEMBL5112492 0.82 PTGDR2 (0.39) PTGDR2MEN1KMT2A
SCHEMBL5122047 0.81 PTGDR2 (0.70) PTGDR2MEN1KMT2A
SCHEMBL5113995 0.79 PTGDR2 (0.70) PTGDR2MEN1KMT2A
SCHEMBL5111616 0.78 PTGDR2 (0.73) PTGDR2MEN1KMT2A
SCHEMBL5120448 0.78 PTGDR2 (0.74) PTGDR2MEN1KMT2A
SCHEMBL5105516 0.78 PTGDR2 (0.69) PTGDR2MEN1KMT2A

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
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed