SCHEMBL28527736

SCHEMBL28527736

CCC=NC(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
APP P05067 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
SIRT4 Q9Y6E7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PLOD2 O00469 1/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL11259703 0.79 ALDH1A1 (0.49) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL28402297 0.79 ALDH1A1 (0.49) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL11259705 0.79 ALDH1A1 (0.49) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL4560875 0.78 CES1 (0.45) ALDH1A1MAPTLMNAKMT2ANPC1
SCHEMBL4186314 0.77 GAA (0.59) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL27764010 0.77 ALDH1A1 (0.59) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL2000039 0.76 ALDH1A1 (0.63) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL128527 0.74 ALDH1A1 (0.61) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL30202509 0.74 ALDH1A1 (0.61) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL3240994 0.74 L3MBTL1 (0.56) 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-112226197-B Modified silicone sealant for treating asphalt pavement cracks and preparation method thereof 重庆重交再生资源开发股份有限公司 2022-04-22 CN claimed
CN-112226197-A Modified silicone sealant for treating asphalt pavement cracks and preparation method thereof 重庆重交再生资源开发股份有限公司 2021-01-15 CN claimed