SCHEMBL20521318

SCHEMBL20521318

NC(=O)c1cc(OCF)n[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 3/20 0.38
▸ SCN9A Q15858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ P2RX3 P56373 2/20 0.33
▸ ALPL P05186 3/20 0.33
▸ MAPT P10636 4/20 0.32
▸ GAA P10253 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ USP7 Q93009 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HCAR2 Q8TDS4 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
SCHEMBL30341948 0.77 NNMT (0.47) PLA2G10MAPK1ALPLMAPTGAA
SCHEMBL27232998 0.76 SCN9A (0.49) PLA2G10SCN9AMAPK1GAAKMT2A
SCHEMBL1827221 0.71 MAPK1 (0.47) PLA2G10SCN9AMAPK1ALPLUSP7
SCHEMBL31375431 0.70 — —
SCHEMBL27987635 0.70 — —
SCHEMBL5599765 0.68 HCAR2 (0.53) PLA2G10MAPK1HCAR2
SCHEMBL15476644 0.68 SIRT6 (0.62) KMT2ASIRT6
SCHEMBL28856288 0.67 — —
SCHEMBL4748496 0.67 — —
SCHEMBL5611770 0.67 SCN9A (0.40) PLA2G10SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601298-A1 PROCESS FOR PREPARING CHIRAL 2,3-DIHYDROTHIAZOLO[3,2-A]PYRIMIDIN-4-IUM COMPOUNDS BASF SE (DE) 2020-02-05 — — EP claimed
WO-2018177970-A1 PROCESS FOR PREPARING CHIRAL 2,3-DIHYDROTHIAZOLO[3,2-A]PYRIMIDIN-4-IUM COMPOUNDS BASF SE (DE) 2018-10-04 — — WO claimed
CN-117320553-A Herbicide/safener combinations based on substituted [ (1,5-diphenyl-1H-1,2,4-triazol-3-yl) oxy ] acetic acid and its salt safeners 拜耳公司 2023-12-29 — — CN disclosed
WO-2021068179-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-04-15 — — WO disclosed
EP-3414237-A1 SUBSTITUTED 2-OXYIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 — — EP disclosed
EP-3414240-A1 SUBSTITUTED IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 — — EP disclosed
EP-3414238-A1 SUBSTITUTED -OXYIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 — — EP disclosed
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