SCHEMBL27557773

SCHEMBL27557773

Cc1c(-c2ccccc2)nn(CC(C)C)c(=O)c1OS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4A P27815 5/20 0.39
▸ PDE4B Q07343 5/20 0.39
▸ PDE4C Q08493 5/20 0.39
▸ PDE4D Q08499 5/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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 0.88 NR1H2 (0.40) PSMB1PSMB5NR1H2
SCHEMBL27558034 0.86 NR1H2 (0.36) PSMB1PSMB5ALDH1A1MAPTAURKA
SCHEMBL27557708 0.84 PSMB1 (0.35) PSMB1PSMB5AURKAAURKBNR1H2
SCHEMBL1925572 0.82 PTGS2 (0.37) PSMB1PSMB5AURKAAURKBKMT2A
SCHEMBL1924476 0.82 PSMB1 (0.35) PSMB1PSMB5ALDH1A1AURKAAURKB
SCHEMBL1924698 0.80 PIK3CD (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1924339 0.80 PTGS2 (0.38) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL27538953 0.79 NR1H2 (0.33) PSMB1PSMB5AURKAAURKBKMT2A
SCHEMBL27535490 0.79 KMT2A (0.33) PSMB1PSMB5AURKAAURKBKMT2A
SCHEMBL27575774 0.76 PSMB1 (0.42) PSMB1PSMB5ALDH1A1SMN1; SMN2PDE4A

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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