SCHEMBL29594898

SCHEMBL29594898

Cc1c(Cc2ccc(S(=O)(=O)N(C)C)cc2)c2cc(C(=O)O)ccc2n1C/C(F)=C/CNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 19/20 0.51
▸ LOX P28300 2/20 0.51
▸ LOXL3 P58215 2/20 0.51
▸ LOXL1 Q08397 2/20 0.51
▸ LOXL4 Q96JB6 2/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ DAO P14920 2/20 0.40
▸ AOC3 Q16853 2/20 0.40

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
SCHEMBL20915620 1.00 LOXL2 (0.51) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19249482 1.00 LOXL2 (0.51) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL29596000 0.93 LOXL2 (0.51) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19249485 0.93 LOXL2 (0.51) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL29594701 0.93 LOXL2 (0.46) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19249639 0.93 LOXL2 (0.46) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19249957 0.87 LOXL2 (0.39) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19249480 0.87 LOXL2 (0.57) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL19249406 0.86 LOXL2 (0.42) LOXL2LOXLOXL3LOXL1LOXL4
SCHEMBL20915458 0.85 LOXL2 (0.56) LOXL2LOXLOXL3LOXL1LOXL4

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-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 — — CN disclosed
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