SCHEMBL9247182

SCHEMBL9247182

CCC(=O)NCC(C)CCCN

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
PAOX Q6QHF9 2/20 0.33
TLR2 O60603 2/20 0.33
RRM1 P23921 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PSMB5 P28074 1/20 0.33
GABRR1 P24046 2/20 0.32
CPB2 Q96IY4 2/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MMP2 P08253 1/20 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
SCHEMBL8824280 0.83 SLC6A5 (0.49) MEN1KMT2ATLR2
SCHEMBL9853713 0.82 FAAH (0.51) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL9853675 0.82 FAAH (0.51) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL23168318 0.81 MEN1 (0.42) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL22005704 0.81 MEN1 (0.42) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL18085365 0.81 PAOX (0.48) GNAI3GNAO1GNAI1DPP7PAOX
SCHEMBL9254670 0.80 MEN1 (0.43) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL25963585 0.80 MEN1 (0.43) MEN1KMT2APSMB5
SCHEMBL12872800 0.79 MEN1 (0.41) MEN1KMT2APSMB5
SCHEMBL24786325 0.79 MEN1 (0.41) MEN1KMT2APSMB5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434213-B1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING & MFG (US) 1995-04-05 EP disclosed
US-5124308-A Reacts with transition metal salt for carbonless paper copying MINNESOTA MINING AND MANUFACTURING COMPANY 1992-06-23 US disclosed
US-5041654-A Transamination in wallach reaction; controlling temperature; reactant amine concentration MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-08-20 US disclosed
EP-0434213-A1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP disclosed