SCHEMBL6661655

SCHEMBL6661655

NCCCC(N)Cc1ccnc2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 4/20 0.53
NR4A2 P43354 3/20 0.48
SOS2 Q07890 1/20 0.48
CYP1A2 P05177 1/20 0.47
CCR1 P32246 1/20 0.45
CHRM1 P11229 2/20 0.40
KCNH2 Q12809 2/20 0.40
PDE3A Q14432 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRNP P04156 1/20 0.40
APP P05067 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
NQO2 P16083 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL28537892 0.84 FERMT2 (0.49) FERMT2
SCHEMBL16568038 0.83 KCNH2 (0.61) NR4A2CYP1A2CHRM1KCNH2PDE3A
SCHEMBL902310 0.81 FERMT2 (0.56) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL28529691 0.81 ADRB2 (0.40) FERMT2
SCHEMBL28887029 0.80 FERMT2 (0.43) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL10751880 0.77 FERMT2 (0.60) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL4367045 0.77 FERMT2 (0.56) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL4365534 0.76 FERMT2 (0.55) FERMT2NR4A2SOS2CYP1A2CCR1
SCHEMBL29033294 0.73 MAPT (0.38) FERMT2NR4A2SOS2CYP1A2CCR1
Bidesethyl Chloroquine SCHEMBL17706108 0.73 CHRM2 (0.71) FERMT2NR4A2CYP1A2CCR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560847-B Chloroquine photoaffinity molecular probe and preparation method and application thereof 中国中医科学院中药研究所 2022-07-29 CN claimed
CN-114560847-A Chloroquine photoaffinity molecular probe and preparation method and application thereof 中国中医科学院中药研究所 2022-05-31 CN claimed
CN-113440528-A Application of optically pure 4-aminoquinoline compound in preparation of drugs for treating coronavirus 上海华理生物医药股份有限公司 2021-09-28 CN claimed
EP-0946744-B1 NOVEL POLYMERIC COMPLEXES FOR THE TRANSFECTION OF NUCLEIC ACIDS, WITH RESIDUES CAUSING THE DESTABILISATION OF CELL MEMBRANES IDM IMMUNO DESIGNED MOLECULES (FR) 2004-08-18 EP claimed
EP-1135481-B1 NEW OLIGOMERIC CONJUGATES LIABLE TO TRANSFER BIOLOGICAL MOLECULES INTO CELLS IDM IMMUNO DESIGNED MOLECULES (FR) 2004-02-25 EP claimed
US-6372499-B1 TRANSFECTION EFFICIENCY I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2002-04-16 US claimed
CN-114560847-B Chloroquine photoaffinity molecular probe and preparation method and application thereof 中国中医科学院中药研究所 2022-07-29 CN disclosed
CN-114560847-A Chloroquine photoaffinity molecular probe and preparation method and application thereof 中国中医科学院中药研究所 2022-05-31 CN disclosed
EP-0946744-B1 NOVEL POLYMERIC COMPLEXES FOR THE TRANSFECTION OF NUCLEIC ACIDS, WITH RESIDUES CAUSING THE DESTABILISATION OF CELL MEMBRANES IDM IMMUNO DESIGNED MOLECULES (FR) 2004-08-18 EP disclosed
EP-1135481-B1 NEW OLIGOMERIC CONJUGATES LIABLE TO TRANSFER BIOLOGICAL MOLECULES INTO CELLS IDM IMMUNO DESIGNED MOLECULES (FR) 2004-02-25 EP disclosed
US-6372499-B1 TRANSFECTION EFFICIENCY I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2002-04-16 US disclosed
EP-1135481-A1 NEW OLIGOMERIC CONJUGATES LIABLE TO TRANSFER BIOLOGICAL MOLECULES INTO CELLS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2001-09-26 EP disclosed
WO-2000032764-A1 NEW OLIGOMERIC CONJUGATES LIABLE TO TRANSFER BIOLOGICAL MOLECULES INTO CELLS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2000-06-08 WO disclosed
EP-0946744-A1 NOVEL POLYMERIC COMPLEXES FOR THE TRANSFECTION OF NUCLEIC ACIDS, WITH RESIDUES CAUSING THE DESTABILISATION OF CELL MEMBRANES I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 1999-10-06 EP disclosed
WO-1998022610-A1 NOVEL POLYMERIC COMPLEXES FOR THE TRANSFECTION OF NUCLEIC ACIDS, WITH RESIDUES CAUSING THE DESTABILISATION OF CELL MEMBRANES I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 1998-05-28 WO disclosed