SCHEMBL29233135

SCHEMBL29233135

CNC(CCCCN)C(=O)N=C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
GSR P00390 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
ANPEP P15144 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CPB2 Q96IY4 4/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
NMT2 O60551 1/20 0.31
NMT1 P30419 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL29233126 0.84 FOLH1 (0.39) FOLH1SIRT6SIRT1GSRRNPEP
SCHEMBL27038 0.82 FOLH1 (0.36) FOLH1SIRT6SIRT1GSRRNPEP
SCHEMBL29233123 0.81 SIRT6 (0.41) FOLH1SIRT6SIRT1GSRANPEP
SCHEMBL19488707 0.81 FOLH1 (0.40) FOLH1SIRT6SIRT1GSRRNPEP
SCHEMBL29233074 0.80 SIRT6 (0.43) FOLH1SIRT6SIRT1SLC6A5GNAI3
SCHEMBL29233109 0.79 SIRT6 (0.48) SIRT6SIRT1SLC6A5GNAI3GNAO1
SCHEMBL29233167 0.78 SIRT6 (0.50) SIRT6SIRT1SLC6A5GNAI3GNAO1
SCHEMBL11807071 0.77 FOLH1 (0.31) FOLH1CPB2
SCHEMBL27005 0.75 GSR (0.53) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL26606339 0.75 GSR (0.53) GSRRNPEPGNAI3GNAO1GNAI1

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