SCHEMBL28830376

SCHEMBL28830376

C[C@H](c1ccccc1)N(C(=O)O)c1c(C#N)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.37
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PDE7A Q13946 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ EGLN2 Q96KS0 2/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ NLRP3 Q96P20 1/20 0.30
▸ TRPM8 Q7Z2W7 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
SCHEMBL28075897 0.86 LRRK2 (0.48) LRRK2
SCHEMBL28830344 0.86 LRRK2 (0.48) LRRK2
SCHEMBL28076057 0.84 LRRK2 (0.36) LRRK2PDE7APDE7B
SCHEMBL27975550 0.78 LRRK2 (0.52) LRRK2
SCHEMBL27975353 0.74 LRRK2 (0.39) LRRK2EGLN2
SCHEMBL27975173 0.73 LRRK2 (0.38) LRRK2
SCHEMBL27975446 0.73 LRRK2 (0.67) LRRK2
SCHEMBL28814172 0.71 LRRK2 (0.53) LRRK2
SCHEMBL28813534 0.71 LRRK2 (0.70) LRRK2
SCHEMBL28075910 0.70 LRRK2 (0.48) LRRK2

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-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
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