SCHEMBL4065139

SCHEMBL4065139

N=Cc1ccc(F)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.50
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.33
NFE2L2 Q16236 3/20 0.32
TRPA1 O75762 1/20 0.32
KIF11 P52732 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
MTOR P42345 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8345423 0.78 NFE2L2 (0.50) NPC1RAB9ANFE2L2TRPA1KIF11
SCHEMBL5674421 0.77 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL27793545 0.77 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL154905 0.77 VCP (0.55) VCPMAOBMAOANPC1RAB9A
SCHEMBL11127611 0.77 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL29527566 0.77 VCP (0.55) VCPMAOBMAOANPC1RAB9A
SCHEMBL38650704 0.76 VCP (0.58) VCPMAOBMAOANPC1RAB9A
SCHEMBL16510538 0.74 ALDH1A1 (0.39) MAOBMAOANPC1RAB9ATRPA1
SCHEMBL14753733 0.74 ALDH1A1 (0.36) NPC1RAB9ATDP1NFE2L2KIF11
SCHEMBL2660226 0.74 VCP (0.56) VCPMAOBMAOANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048411-B1 PROCESS FOR PREPARING 3-BROMO-4-FLUORO-BENZALDEHYDE ACETALS, INTERMEDIATES AND THEIR PREPARATION BAYER AG (DE) 1986-11-12 EP claimed
US-4348538-A IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US claimed
EP-0048411-A2 Process for preparing 3-bromo-4-fluoro-benzaldehyde acetals, intermediates and their preparation BAYER AG (DE) 1982-03-31 EP claimed
EP-2035425-A1 AMINO- IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA. AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007145570-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145570-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
EP-0048411-B1 PROCESS FOR PREPARING 3-BROMO-4-FLUORO-BENZALDEHYDE ACETALS, INTERMEDIATES AND THEIR PREPARATION BAYER AG (DE) 1986-11-12 EP disclosed
US-4348538-A IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4348538-A IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0048411-A2 Process for preparing 3-bromo-4-fluoro-benzaldehyde acetals, intermediates and their preparation BAYER AG (DE) 1982-03-31 EP disclosed
EP-0048411-A2 Process for preparing 3-bromo-4-fluoro-benzaldehyde acetals, intermediates and their preparation BAYER AG (DE) 1982-03-31 EP disclosed