SCHEMBL5772539

SCHEMBL5772539

CCc1ccccn1.c1ccc(CN(Cc2ccccn2)c2ccccn2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
DRD1 P21728 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA7 P36544 9/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL18301470 0.91 SMN1; SMN2 (0.59) SMN1; SMN2TDP1MAPTLIN28ACHRM2
SCHEMBL230319 0.88 NR1H2 (0.52) SMN1; SMN2TDP1MAPTLIN28ACHRM2
SCHEMBL54892 0.81
SCHEMBL29430412 0.81
Iodide SCHEMBL23406241 0.79
Hydrogen Sulfide SCHEMBL2321786 0.79
Fluoride SCHEMBL6702411 0.79
Hydrochloric Acid SCHEMBL11412754 0.79 HRH1 (0.52) SMN1; SMN2TDP1MAPTLIN28AHRH1
Hydrochloric Acid SCHEMBL3697995 0.79 HRH1 (0.52) SMN1; SMN2TDP1MAPTLIN28AHRH1
Benzene SCHEMBL11013308 0.79 HRH1 (0.52) SMN1; SMN2TDP1MAPTLIN28AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280881-B1 MACHINE DISHWASHING COMPOSITIONS CONTAINING BLEACHING AGENTS AND POLYMERS UNILEVER PLC (GB) 2006-09-13 EP disclosed
US-6602836-B2 Machine dishwashing compositions containing cationic bleaching agents and water-soluble polymers incorporating cationic groups UNILEVER HOME & PERSONAL CARE USA, A DIVISION OF CONOPCO, INC. 2003-08-05 US disclosed