SCHEMBL4194615

SCHEMBL4194615

CC(C)(NCC(Br)C(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
KCNN4 O15554 2/20 0.39
TAAR1 Q96RJ0 1/20 0.36
DPP4 P27487 1/20 0.35
MAPK1 P28482 1/20 0.34
KIF11 P52732 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 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
SCHEMBL6741704 0.78 BACE1 (0.39) BACE1KCNN4TAAR1KIF11CYP2D6
SCHEMBL2349995 0.77 BACE1 (0.46) BACE1KCNN4DPP4CYP2D6CYP2C19
SCHEMBL2514131 0.74 KCNN4 (0.43) KCNN4TAAR1DPP4MAPK1KIF11
SCHEMBL469181 0.73 KCNN4 (0.64) KCNN4TAAR1DPP4MAPK1KIF11
SCHEMBL13900473 0.71 KCNN4 (0.45) KCNN4TAAR1DPP4MAPK1KIF11
Bromide SCHEMBL28232025 0.71 KCNN4 (0.61) KCNN4TAAR1DPP4MAPK1KIF11
Hydrochloric Acid SCHEMBL9957339 0.71 KCNN4 (0.61) KCNN4TAAR1DPP4MAPK1KIF11
SCHEMBL5147853 0.69 CYP3A4 (0.46) KCNN4TAAR1CYP2D6CYP2C19
SCHEMBL6891739 0.69 KCNN4 (0.48) KCNN4TAAR1DPP4MAPK1KIF11
SCHEMBL30318970 0.69 BACE1 (0.46) BACE1DPP4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708597-B1 HERBICIDAL COMPOSITIONS RHONE POULENC AGROCHIMIE (FR) 1998-09-16 EP claimed
US-5672566-A MIXTURES OF 6-ALKYL-3-ALKYL(OR HALOALKYL-)PHENYL-5-PHENYL 2,3-DIHYDRO-4H-1,3-OXAZIN-4-ONES WITH OTHER HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1997-09-30 US claimed
EP-0708597-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1996-05-01 EP claimed
WO-1995002329-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1995-01-26 WO claimed
JP-8268813-A None JP disclosed
JP-2009209061-A PEST CONTROL COMPOSITION SUMITOMO CHEMICAL CO LTD 2009-09-17 JP disclosed
US-6797674-B2 FRAGMENT OF A FIBRE CROP HAVING HIGH OIL ABSORBENCY; AND A LIQUID AGROCHEMICALLY ACTIVE INGREDIENT AT ROOM TEMPERATURE OR LIQUID MATTER PREPARED BY DISSOLVING OR DISPERSING AN AGROCHEMICALLY ACTIVE INGREDIENT IN A LIQUID SOLVENT. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-09-28 US disclosed
US-6703350-B2 GRANULAR NUCLEUS COATED WITH A WATER-SOLUBLE POLYMER OR A WATER-SWELLABLE SUBSTANCE, TO HOLD AGROCHEMICALLY ACTIVE INGREDIENTS. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-09 US disclosed
US-20040011262-A1 Uniformly spreadable granular agricultural chemicals formulation and method for scattering (applying) thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-01-22 US disclosed
US-20020098984-A1 Agricultural chemicals composition, preparation thereof and the method for scattering the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-07-25 US disclosed
EP-0708597-B1 HERBICIDAL COMPOSITIONS RHONE POULENC AGROCHIMIE (FR) 1998-09-16 EP disclosed
US-5672566-A MIXTURES OF 6-ALKYL-3-ALKYL(OR HALOALKYL-)PHENYL-5-PHENYL 2,3-DIHYDRO-4H-1,3-OXAZIN-4-ONES WITH OTHER HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1997-09-30 US disclosed
US-5635448-A 3-SUBSTITUTED PHENYLPYRAZOLE DERIVATIVES ASAMURA PATENT OFFICE (JP) 1997-06-03 US disclosed
JP-H08268813-A HERBICIDE COMPOSITION FOR PADDY FIELD MITSUI TOATSU CHEM INC 1996-10-15 JP disclosed
EP-0708597-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1996-05-01 EP disclosed
WO-1995002329-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1995-01-26 WO disclosed
EP-0619946-A1 Herbicidal composition for upland farming and weeding method NIHON NOHYAKU CO., LTD. (JP) 1994-10-19 EP disclosed
JP-S06377803-A 0001-01-01 JP disclosed