SCHEMBL8722271

SCHEMBL8722271

C=CCN(CC=C)Cc1c[nH]nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PYCR1 P32322 1/20 0.33
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTR1D P28221 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR1E P28566 2/20 0.31
SLC6A4 P31645 2/20 0.31
ADRA1A P35348 2/20 0.31
HRH1 P35367 2/20 0.31
ADRA1B P35368 2/20 0.31
DRD3 P35462 2/20 0.31
OPRK1 P41145 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL622620 0.82
SCHEMBL6037893 0.80
SCHEMBL951386 0.74
Hydrogen Sulfide SCHEMBL29094905 0.72
SCHEMBL6039697 0.71
SCHEMBL3226086 0.69
SCHEMBL2729930 0.69 MAPT (0.40) ALDH1A1DRD3
SCHEMBL4324570 0.68
SCHEMBL4120651 0.68 ALDH1A1 (0.41) ALDH1A1LMNAHTTPYCR1HTR1A
SCHEMBL10600926 0.67 KCNH2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121232-A1 SINGLE-CELL RNA SEQUENCING USING CLICK-CHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-04-20 US disclosed
US-11519027-B2 Single-cell RNA sequencing using click-chemistry MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-12-06 US disclosed
WO-2019191532-A1 SINGLE-CELL RNA SEQUENCING USING CLICK-CHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-10-03 WO disclosed
US-5824721-A AMINOMETHYLBENZOTRIAZOLE COMPOUNDS FOR PRINTING INKS ARMSTRONG WORLD INDUSTRIES, INC. (US) 1998-10-20 US disclosed