SCHEMBL1875

SCHEMBL1875

N#CCc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
TAAR1 Q96RJ0 3/20 0.42
HTR2A P28223 1/20 0.42
CYP2A6 P11509 1/20 0.42
IDO1 P14902 2/20 0.41
CSNK2A1 P68400 2/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
PYCR1 P32322 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7489893 0.97 MAOB (0.41) MAOBTAAR1HTR2ACYP2A6IDO1
SCHEMBL2154504 0.86 KMT2A (0.47) CYP2A6KMT2AKDM4ETDP1CYP1A1
SCHEMBL28426940 0.85 MMP3 (0.50) MAOBCSNK2A1KMT2AKDM4ETDP1
Morpholine SCHEMBL11203628 0.80 KMT2A (0.35) MAOBCSNK2A1KMT2AKDM4ECYP1A1
SCHEMBL200320 0.79 TRPA1 (0.43) KMT2AKDM4ETDP1CYP1A1CYP1A2
SCHEMBL1640831 0.78 KDM4E (0.48) MAOBCYP2A6CSNK2A1KMT2AMAOA
SCHEMBL23137321 0.78 MMP3 (0.50) KMT2AKDM4ETDP1L3MBTL1
SCHEMBL8763328 0.78 KMT2A (0.42) KMT2AKDM4ETDP1CYP1A1CYP1A2
SCHEMBL4228681 0.78 CYP2A6 (0.47) MAOBTAAR1HTR2ACYP2A6IDO1
SCHEMBL196175 0.78 MMP3 (0.50) KMT2AKDM4ETDP1L3MBTL1

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

Appears in 2063 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119242292-A Visual supermolecule photosensitizer for photodynamic antibacterial treatment and preparation method thereof 北京化工大学 2025-01-03 CN claimed
CN-118994289-B Alpha-cyano stilbene chiral fluorescent liquid crystal compound and preparation method thereof 苏州大学 2024-12-24 CN claimed
CN-118994289-A Alpha-cyano stilbene chiral fluorescent liquid crystal compound and preparation method thereof 苏州大学 2024-11-22 CN claimed
CN-116003340-B Phenanthrene nitrile organic light-emitting compound and preparation method and application thereof 广东工业大学 2024-11-19 CN claimed
CN-118908856-A Monomer, polymer, film, device, preparation method and application 浙江工业大学 2024-11-08 CN claimed
CN-115896823-B D2Method for preparing alpha, beta-deuterated amine medicaments and prodrugs by using O as deuterium source to electrically catalyze nitrile 天津大学 2024-07-26 CN claimed
CN-113956181-B Para cyano ethylene derivative, crystal of para cyano ethylene derivative, preparation method and application 吉林大学 2024-05-03 CN claimed
CN-117624035-A Pyridine salt singlet oxygen type active oxygen photosensitizer and preparation method and application thereof 香港中文大学(深圳) 2024-03-01 CN claimed
CN-117551156-A Chiral fluorescent material containing alpha-cyano-stilbene structure and preparation method thereof 苏州大学 2024-02-13 CN claimed
CN-117402289-A Room-temperature phosphorescent material of polyacrylamide copolymer containing biaryl compound and preparation method thereof 广东工业大学 2024-01-16 CN claimed
CN-101774871-A Method for preparing biaryl compound in pure water solution UNIV DALIAN TECH 2010-07-14 CN claimed
CN-100475780-C Production of alpha, alpha-dimethyl-4-brombenethane SHANGHAI CHEMICAL REAGENT RES (CN) 2009-04-08 CN claimed
CN-101381329-A Sulfonated aromatic dicarboxilic acid and preparation method thereof UNIV SHANGHAI JIAOTONG (CN) 2009-03-11 CN claimed
CN-101328142-A Preparation of 4,4'-bis (cyano phenoxy) diphenyl sulfide UNIV DONGHUA (CN) 2008-12-24 CN claimed
CN-101234975-A Method for preparing 3,3'-di(4-cyanophenoxy)diphenyl UNIV DONGHUA (CN) 2008-08-06 CN claimed
CN-101225059-A Method for preparing 3,3'-diamino-4,4'-di(4-cyano-benzene oxygen) biphenyl UNIV DONGHUA (CN) 2008-07-23 CN claimed
CN-100340548-C Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2007-10-03 CN claimed
CN-1778792-A Production of alpha, alpha-dimethyl-4-brombenethane SHANGHAI CHEMICAL REAGENTS INS (CN) 2006-05-31 CN claimed
CN-1630637-A Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-06-22 CN claimed
US-4144264-A Process for producing a 3-methyl-2-(4-halophenyl)butyronitrile SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-03-13 US claimed