SCHEMBL29233074

SCHEMBL29233074

CCCCNC(CCCCN)C(=O)N=C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
TLR2 O60603 5/20 0.39
FURIN P09958 4/20 0.37
NOD1 Q9Y239 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PRSS1 P07477 3/20 0.34
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
RRM1 P23921 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL29233109 0.96 SIRT6 (0.48) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233167 0.94 SIRT6 (0.50) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233123 0.93 SIRT6 (0.41) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233126 0.87 FOLH1 (0.39) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233135 0.80 FOLH1 (0.37) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL8751938 0.79 SLC6A5 (0.55) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL8751936 0.79 SLC6A5 (0.55) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233077 0.78 SLC6A5 (0.49) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233104 0.78 BCHE (0.45) NOD1
SCHEMBL27038 0.76 FOLH1 (0.36) SIRT6SIRT1FOLH1

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-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed