SCHEMBL5256987

SCHEMBL5256987

Nc1ccc(Cl)cc1NC(=O)Oc1cc(Cl)n[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ROCK1 Q13464 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
SCHEMBL5258491 0.90 HDAC1 (0.43) MEN1KMT2AJAK2JAK1GAA
SCHEMBL5257442 0.86 MEN1 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL5254960 0.71 KMT2A (0.34) KMT2ADAO
SCHEMBL15550749 0.68 AAK1 (0.46) MEN1KMT2AGAAHDAC3HDAC1
SCHEMBL19575701 0.67 NPC1 (0.52) MEN1KMT2AGAAHDAC3HDAC1
SCHEMBL9210058 0.66 HDAC1 (0.58) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL7936652 0.66 MEN1 (0.53) MEN1KMT2AGAAHDAC1MAPT
SCHEMBL1393609 0.63 — —
SCHEMBL21580859 0.63 ABL1 (0.46) MEN1KMT2AGAATDP1ABL1
SCHEMBL15938273 0.63 MEN1 (0.43) MEN1KMT2AHDAC3HDAC1HDAC2

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
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 — — EP disclosed
EP-1725543-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 — — EP disclosed
WO-2005085230-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 — — WO disclosed
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