SCHEMBL28699081

SCHEMBL28699081

CCS(=O)(=O)c1nn2c(C)cc(C)nc2c1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ CRHR1 P34998 6/20 0.37
▸ PTGS2 P35354 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.32
▸ HTR6 P50406 4/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL22775952 0.88 POLB (0.41) POLBKDM4ECRHR1PTGS2PDE10A
SCHEMBL29525773 0.85 POLB (0.41) POLBCRHR1
SCHEMBL19993254 0.85 POLB (0.42) POLBKDM4ECRHR1PTGS2HTR6
SCHEMBL29525495 0.82 KDM4E (0.38) POLBKDM4EPTGS2HTR6MEN1
SCHEMBL22775859 0.82 KDM4E (0.38) POLBKDM4EPTGS2HTR6MEN1
SCHEMBL22776118 0.82 POLB (0.45) POLBKDM4ECRHR1PDE10AHTR6
SCHEMBL28678229 0.81 POLB (0.42) POLB
SCHEMBL22776003 0.81 POLB (0.39) POLB
SCHEMBL29525643 0.81 POLB (0.41) POLB
SCHEMBL29525360 0.80 POLB (0.39) POLBKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008043-B Condensed heterocyclic compounds and their use as pest control agents PI工业有限公司 2024-06-07 — — CN claimed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP claimed
CN-114008043-A Fused heterocyclic compound and use thereof as pest control agent PI工业有限公司 2022-02-01 — — CN claimed
CN-114008043-B Condensed heterocyclic compounds and their use as pest control agents PI工业有限公司 2024-06-07 — — CN disclosed
EP-3983411-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2022-04-20 — — EP disclosed
CN-114008043-A Fused heterocyclic compound and use thereof as pest control agent PI工业有限公司 2022-02-01 — — CN disclosed
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