SCHEMBL28679591

SCHEMBL28679591

CCS(=O)(=O)c1nn2cc(-c3ccccc3)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAOB P27338 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ GRIN1 Q05586 6/20 0.33
▸ GRIN2B Q13224 6/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ MET P08581 2/20 0.33
▸ HPGD P15428 2/20 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
SCHEMBL29525261 0.91 RAB9A (0.40) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL29525792 0.90 POLB (0.39) POLBALDH1A1KDM4EMAOBKMT2A
SCHEMBL29525700 0.89 POLB (0.39) POLBALDH1A1MAOBKMT2AMEN1
SCHEMBL22776116 0.87 POLB (0.37) POLBALDH1A1KDM4EMAOBKMT2A
SCHEMBL28701103 0.86 POLB (0.38) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL29525793 0.85 POLB (0.41) POLBALDH1A1MAOBKMT2AMEN1
SCHEMBL22775965 0.85 MAOB (0.43) POLBALDH1A1KDM4EMAOBKMT2A
SCHEMBL28684959 0.84 PTGS2 (0.34) MAOBKMT2ANPC1RAB9AGRIN1
SCHEMBL22775915 0.84 POLB (0.41) POLBALDH1A1KDM4ERAB9AGRIN1
SCHEMBL22775940 0.83 POLB (0.42) POLBALDH1A1KDM4EMAOBKMT2A

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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