SCHEMBL30904785

SCHEMBL30904785

O=c1[nH]cc(-c2cc(NCCc3ccccc3)c(O)nn2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ TAAR1 Q96RJ0 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ ASPH Q12797 1/20 0.37
▸ RIOX2 Q8IUF8 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ NT5E P21589 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ SIRT2 Q8IXJ6 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
SCHEMBL30904779 0.87 MEN1 (0.59) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL29206795 0.85 KMT2A (0.55) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL30904790 0.84 KDM4E (0.56) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL30904788 0.80 MEN1 (0.51) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL23994321 0.76 MEN1 (0.54) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL31065716 0.76 MEN1 (1.00) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL23995083 0.71 KDM4E (0.47) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL23995088 0.68 MAPT (0.46) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL23995086 0.68 KDM4E (0.46) MEN1KMT2ATAAR1KDM4EMAPT
SCHEMBL23995372 0.68 MEN1 (0.43) MEN1KMT2ATAAR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005615-A Pyridazine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-05-10 — — CN disclosed
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