SCHEMBL31121689

SCHEMBL31121689

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2c(C)cc(C)nc12

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.37
▸ PTGS2 P35354 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL19973846 1.00 HTR6 (0.37) HTR6PTGS2HTR2B
SCHEMBL22775859 0.85 KDM4E (0.38) HTR6PTGS2HTR2B
SCHEMBL29525495 0.85 KDM4E (0.38) HTR6PTGS2HTR2B
SCHEMBL19993342 0.83 KDM4E (0.36) HTR6PTGS2
SCHEMBL19993254 0.82 POLB (0.42) HTR6PTGS2HTR2B
SCHEMBL23956637 0.81 POLB (0.33) PTGS2
SCHEMBL19993247 0.80 HTR6 (0.35) HTR6PTGS2
SCHEMBL30130684 0.79 KCNH2 (0.33) —
SCHEMBL19993433 0.77 ACSS2 (0.34) PTGS2
SCHEMBL31121687 0.77 ACSS2 (0.34) PTGS2

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-118702706-A Pyrazolo [1,5-A ] pyridine derivatives and their use as pesticides 拜耳作物科学股份公司 2024-09-27 — — CN disclosed
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