SCHEMBL29233126

SCHEMBL29233126

CCNC(CCCCN)C(=O)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
TLR2 O60603 3/20 0.34
GSR P00390 1/20 0.33
CPB2 Q96IY4 5/20 0.33
RNPEP Q9H4A4 1/20 0.33
ANPEP P15144 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL29233123 0.88 SIRT6 (0.41) FOLH1SIRT6SIRT1GNAI3GNAO1
SCHEMBL29233074 0.87 SIRT6 (0.43) FOLH1SIRT6SIRT1GNAI3GNAO1
SCHEMBL29233109 0.85 SIRT6 (0.48) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233167 0.84 SIRT6 (0.50) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233135 0.84 FOLH1 (0.37) FOLH1SIRT6SIRT1GNAI3GNAO1
SCHEMBL27038 0.79 FOLH1 (0.36) FOLH1SIRT6SIRT1GSRCPB2
SCHEMBL2151319 0.76 FOLH1 (0.57) FOLH1SIRT6SIRT1SLC6A5TLR2
SCHEMBL2151316 0.76 FOLH1 (0.57) FOLH1SIRT6SIRT1SLC6A5TLR2
SCHEMBL15834023 0.76 FOLH1 (0.45) FOLH1SIRT6SIRT1GNAI3GNAO1
SCHEMBL16383761 0.76 SIRT6 (0.45) FOLH1SIRT6SIRT1GNAI3GNAO1

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