SCHEMBL27558034

SCHEMBL27558034

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ EGFR P00533 1/20 0.31
▸ ENPP1 P22413 3/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AKT2 P31751 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RORC P51449 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 0.86 NR1H2 (0.40) NR1H2PSMB1PSMB5
SCHEMBL27557773 0.86 PSMB1 (0.42) NR1H2PSMB1PSMB5AURKAAURKB
SCHEMBL27535490 0.83 KMT2A (0.33) NR1H2PSMB1PSMB5AURKAAURKB
SCHEMBL27538953 0.83 NR1H2 (0.33) NR1H2PSMB1PSMB5AURKAAURKB
SCHEMBL27557708 0.83 PSMB1 (0.35) NR1H2PSMB1PSMB5AURKAAURKB
SCHEMBL27558003 0.81 PSMB1 (0.39) NR1H2PSMB1PSMB5EGFRAURKA
SCHEMBL1925572 0.81 PTGS2 (0.37) NR1H2PSMB1PSMB5AURKAAURKB
SCHEMBL1924476 0.81 PSMB1 (0.35) NR1H2PSMB1PSMB5AURKAAURKB
SCHEMBL27575783 0.80 PSMB1 (0.36) NR1H2PSMB1PSMB5EGFRDPP4
SCHEMBL27643377 0.79 PSMB1 (0.37) NR1H2PSMB1PSMB5EGFRAURKA

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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