SCHEMBL28029422

SCHEMBL28029422

Cn1nc(-c2ccc(CO)cc2)ccc1=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.61
▸ FYN P06241 2/20 0.48
▸ PHGDH O43175 1/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL28029411 0.84 HRH3 (0.63) HRH3KCNH2
SCHEMBL1372655 0.81 HRH3 (0.54) HRH3KCNH2
SCHEMBL28029737 0.81 HRH3 (0.58) HRH3KCNH2
SCHEMBL28029405 0.81 HRH3 (0.58) HRH3KCNH2
SCHEMBL11144982 0.77 HRH3 (0.54) HRH3
SCHEMBL5677056 0.77 KEAP1 (0.56) HRH3KCNH2
SCHEMBL3089686 0.77 HRH3 (0.54) HRH3KCNH2
SCHEMBL11397967 0.77 HRH3 (0.54) HRH3
SCHEMBL11142730 0.77 KMT2A (0.53) HRH3
SCHEMBL1640794 0.77 HRH3 (0.58) HRH3PHGDH

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-104884451-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-09-02 — — CN disclosed
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