SCHEMBL19973881

SCHEMBL19973881

CCN(C)C(=N)c1cc(C)c(Sc2cccc(OCC(F)(F)F)c2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ ITGB2 P05107 1/20 0.31
▸ ICAM1 P05362 1/20 0.31
▸ ITGAL P20701 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HCRTR1 O43613 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
SCHEMBL29624511 0.91 CFTR (0.31) —
SCHEMBL23931575 0.86 RHEB (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL21383553 0.86 CETP (0.36) ALDH1A1
SCHEMBL30166535 0.84 ACHE (0.34) ALDH1A1RAB9ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL20920141 0.84 ACHE (0.34) ALDH1A1RAB9ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL28533263 0.81 ALDH1A1 (0.38) JAK2JAK3CYP2C9CYP2C19ALDH1A1
SCHEMBL29370850 0.76 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL17698487 0.76 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL16416360 0.76 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL30028163 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188094-A1 A PESTICIDALLY ACTIVE MIXTURE COMPRISING PYRAZOLOPYRIDINE ANTHRANILAMIDE COMPOUND, OXIDES OR SALTS THEREOF PI Industries Ltd. (IN) 2023-06-07 — — EP claimed
WO-2022023931-A1 A PESTICIDALLY ACTIVE MIXTURE COMPRISING PYRAZOLOPYRIDINE ANTHRANILAMIDE COMPOUND, OXIDES OR SALTS THEREOF PI INDUSTRIES LTD (IN) 2022-02-03 — — WO claimed
WO-2018050535-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — WO claimed
EP-3697221-B1 AQUEOUS SUSPENSION CONCENTRATES BASED ON 2-[(2,4-DICHLOROPHENYL)-METHYL]-4,4'-DIMETHYL-3-ISOXAZOLIDINONE BAYER AG (DE) 2024-01-24 — — EP disclosed
CN-111970929-B Active ingredient combinations having insecticidal, nematicidal and acaricidal properties 拜耳公司 2022-12-06 — — CN disclosed
CN-114340393-A Herbicidal composition 拜耳公司 2022-04-12 — — CN disclosed
CN-113347882-A Herbicidal composition 拜耳公司 2021-09-03 — — CN disclosed
CN-113329630-A Herbicidal composition 拜耳公司 2021-08-31 — — CN disclosed
EP-3728244-A1 FUNGICIDAL OXADIAZOLES Bayer Aktiengesellschaft (DE) 2020-10-28 — — EP disclosed
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