SCHEMBL27557708

SCHEMBL27557708

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ NR1H2 P55055 2/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30

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
SCHEMBL27557752 0.87 NR1H2 (0.40) PSMB1PSMB5NR1H2
SCHEMBL27557773 0.84 PSMB1 (0.42) PSMB1PSMB5NR1H2AURKAAURKB
SCHEMBL1924874 0.83 PTGS2 (0.38) PSMB5
SCHEMBL27558034 0.83 NR1H2 (0.36) PSMB1PSMB5NR1H2AURKAAURKB
SCHEMBL1925572 0.79 PTGS2 (0.37) PSMB1PSMB5NR1H2AURKAAURKB
SCHEMBL1924476 0.79 PSMB1 (0.35) PSMB1PSMB5NR1H2AURKAAURKB
SCHEMBL1924339 0.76 PTGS2 (0.38) —
SCHEMBL1924698 0.76 PIK3CD (0.41) —
SCHEMBL27538953 0.76 NR1H2 (0.33) PSMB1PSMB5NR1H2AURKAAURKB
SCHEMBL27535490 0.76 KMT2A (0.33) PSMB1PSMB5NR1H2AURKAAURKB

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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