SCHEMBL29569031

SCHEMBL29569031

CC(=O)c1cccnc1.[Na]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
GAA P10253 2/20 0.63
APP P05067 1/20 0.63
HCAR3 P49019 1/20 0.63
HCAR2 Q8TDS4 1/20 0.63
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61
SARM1 Q6SZW1 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SIRT6 Q8N6T7 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
SIRT4 Q9Y6E7 1/20 0.61
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HTT P42858 1/20 0.56

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
SCHEMBL8039612 0.98
SCHEMBL1699 0.98
SCHEMBL29496911 0.98
Iodide SCHEMBL10528928 0.96 ALDH1A1 (0.63) ALDH1A1GAAAPPHCAR3HCAR2
Hydrochloric Acid SCHEMBL4897791 0.96 ALDH1A1 (0.63) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL28981715 0.96 ALDH1A1 (0.63) ALDH1A1GAAAPPHCAR3HCAR2
Bromide SCHEMBL27731363 0.96 ALDH1A1 (0.63) ALDH1A1GAAAPPHCAR3HCAR2
Pyridine SCHEMBL20583617 0.92 ALDH1A1 (0.64) ALDH1A1GAAAPPHCAR3HCAR2
Hydrochloric Acid SCHEMBL5075062 0.92 ALDH1A1 (0.59) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL6641838 0.92 ALDH1A1 (0.59) ALDH1A1GAAAPPHCAR3HCAR2

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
CN-114354524-B Stable liquid detection kit 北京九强生物技术股份有限公司 2024-10-01 CN disclosed
CN-114354524-A Stable liquid detection kit 北京九强生物技术股份有限公司 2022-04-15 CN disclosed