SCHEMBL21589850

SCHEMBL21589850

CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.31
▸ NR1H2 P55055 6/20 0.31
▸ NR1H3 Q13133 5/20 0.31
▸ S1PR1 P21453 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
SCHEMBL21509295 0.87 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL21589891 0.86 POLB (0.41) POLB
SCHEMBL20917606 0.86 POLB (0.40) POLBLRRK2
SCHEMBL20917614 0.86 POLB (0.40) POLB
SCHEMBL14684583 0.84 POLB (0.48) POLBLRRK2S1PR1
SCHEMBL29360277 0.84 POLB (0.48) POLBLRRK2S1PR1
SCHEMBL21509494 0.83 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL17844030 0.83 POLB (0.43) POLBLRRK2
SCHEMBL30711169 0.83 POLB (0.43) POLBLRRK2
SCHEMBL16376051 0.82 POLB (0.41) POLB

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
WO-2019234160-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 — — WO disclosed
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