SCHEMBL5792610

SCHEMBL5792610

CCc1nn(CC(=O)O)c(SCc2csc(Cl)c2)nc1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ S1PR2 O95136 2/20 0.33
▸ SLC22A12 Q96S37 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ PLA2G7 Q13093 1/20 0.31
▸ AGTR2 P50052 2/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL5794378 0.82 ALOX15 (0.37) PTGDR2ALOX15S1PR2SLC22A12CYP3A4
SCHEMBL5791696 0.80 EPHX2 (0.32) PTGDR2SLC22A12AGTR2LMNA
SCHEMBL5793463 0.79 ALDH1A1 (0.41) PTGDR2ALOX15LMNA
SCHEMBL5793865 0.78 PLA2G7 (0.48) CYP3A4CYP2D6PLA2G7
SCHEMBL6112072 0.78 MEN1 (0.45) PTGDR2ALOX15CYP3A4CYP2D6PLA2G7
SCHEMBL5794763 0.76 PTGDR2 (0.53) PTGDR2LMNA
SCHEMBL5793255 0.73 DAO (0.42) PTGDR2ALOX15CYP3A4CYP2D6PLA2G7
SCHEMBL5764503 0.71 GPR84 (0.36) GHSRLMNA
SCHEMBL5794072 0.69 PDE5A (0.48) PTGDR2ALOX15CYP3A4CYP2D6LMNA
SCHEMBL6112515 0.61 ALOX15 (0.52) PTGDR2ALOX15CYP3A4

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-1644353-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES Bayer HealthCare AG (DE) 2006-04-12 — — EP disclosed
WO-2005003118-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES BAYER HEALTHCARE AG (DE) 2005-01-13 — — WO disclosed
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