SCHEMBL27557752

SCHEMBL27557752

Cc1c(-c2ccc(S(C)(=O)=O)cc2)nn(CC(C)C)c(=O)c1OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.40
▸ PTGS2 P35354 10/20 0.39
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS1 P23219 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL27557773 0.88 PSMB1 (0.42) NR1H2PSMB1PSMB5
SCHEMBL27557708 0.87 PSMB1 (0.35) NR1H2PSMB1PSMB5
SCHEMBL27558034 0.86 NR1H2 (0.36) NR1H2PSMB1PSMB5
SCHEMBL1925572 0.82 PTGS2 (0.37) NR1H2PTGS2PSMB1PSMB5PTGS1
SCHEMBL1924476 0.82 PSMB1 (0.35) NR1H2PTGS2PSMB1PSMB5
SCHEMBL1925535 0.82 PTGS2 (0.50) PTGS2PSMB5PTGS1
SCHEMBL1924339 0.80 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL1924698 0.80 PIK3CD (0.41) PTGS2PTGS1
SCHEMBL27538953 0.79 NR1H2 (0.33) NR1H2PSMB1PSMB5
SCHEMBL27535490 0.79 KMT2A (0.33) NR1H2PSMB1PSMB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1304379-C Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO (JP) 2007-03-14 — — CN disclosed
CN-1759103-A Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO (JP) 2006-04-12 — — CN disclosed
CN-1558903-A Water-soluble phenylpyridazine derivative and drug containing the same ������������ʽ���� 2004-12-29 — — CN disclosed
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