SCHEMBL29233167

SCHEMBL29233167

CCCCCCNC(CCCCN)C(=O)N=C=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
TLR2 O60603 5/20 0.46
FURIN P09958 4/20 0.42
SLC6A5 Q9Y345 3/20 0.41
RRM1 P23921 1/20 0.40
NOD1 Q9Y239 1/20 0.40
PRSS1 P07477 2/20 0.39
DPP7 Q9UHL4 1/20 0.38
DNM1 Q05193 1/20 0.35

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 0.99 SIRT6 (0.48) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233074 0.94 SIRT6 (0.43) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233123 0.90 SIRT6 (0.41) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL29233126 0.84 FOLH1 (0.39) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL31050906 0.80 NOD1 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL7460571 0.80 NOD1 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL31042213 0.80 NOD1 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL2050730 0.80 NOD1 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL199411 0.80 NOD1 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL31042212 0.80 NOD1 (0.58) SIRT6SIRT1GNAI3GNAO1GNAI1

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