SCHEMBL28840420

SCHEMBL28840420

Cc1cc(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc(C(=O)NC2(C#N)CC2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.35
CTSS P25774 14/20 0.35
CTSK P43235 13/20 0.35
LRRK2 Q5S007 2/20 0.35
TTK P33981 2/20 0.33
CTSB P07858 8/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL28840419 1.00 CTSL (0.35) CTSLCTSSCTSKLRRK2TTK
SCHEMBL26660223 0.86 LRRK2 (0.38) CTSLCTSSCTSKLRRK2CTSB
SCHEMBL26660229 0.86 LRRK2 (0.38) CTSLCTSSCTSKLRRK2CTSB
SCHEMBL27353079 0.85 CTSK (0.33) CTSLCTSSCTSKLRRK2TTK
SCHEMBL26660338 0.83 LRRK2 (0.36) CTSLCTSSCTSKLRRK2
SCHEMBL28840397 0.81 KDM4E (0.40) L3MBTL1
SCHEMBL28840431 0.81 KDM4E (0.40) L3MBTL1
SCHEMBL28840448 0.81 LRRK2 (0.38) CTSLCTSSCTSKLRRK2CTSB
SCHEMBL30638617 0.81 LRRK2 (0.37) CTSLCTSSCTSKLRRK2CTSB
SCHEMBL28840447 0.81 LRRK2 (0.38) CTSLCTSSCTSKLRRK2CTSB

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-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed