SCHEMBL7849686

SCHEMBL7849686

CCOC(=O)C(=CN[C@@H]1C[C@@H]1F)C(=O)c1cnc(Cl)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 5/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 5/20 0.33
DHODH Q02127 3/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8694662 0.86 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL7841742 0.86 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL7850181 0.83 NPSR1 (0.45) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL2081906 0.83 NPSR1 (0.37) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL2082832 0.81 NPSR1 (0.38) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL7850333 0.81 NPSR1 (0.33) NPSR1MAPTCYP2D6GAADHODH
SCHEMBL2082830 0.81 NPSR1 (0.38) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL13483616 0.80 KEAP1 (0.39) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL8694235 0.79 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP1A2CYP2C19
SCHEMBL7841807 0.79 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 EP disclosed
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed
US-5700940-A FOR PRE- OR POSTEMERGENCE SPRAYING OF PLANTS OR SOILS DOWELANCO (US) 1997-12-23 US disclosed
US-5614469-A N-pyridinyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-03-25 US disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed