Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL9256322

CCC(=O)NCCCCCCCCCCCCN.N

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
PAOX Q6QHF9 2/20 0.61
SLC6A5 Q9Y345 2/20 0.54
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
CASP2 P42575 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4A O75164 1/20 0.46
HIF1A Q16665 1/20 0.46
TET2 Q6N021 1/20 0.46
DOHH Q9BU89 1/20 0.46
NAAA Q02083 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 2/20 0.43

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
SCHEMBL25885490 0.98 MEN1 (0.74) MEN1KMT2APAOXSLC6A5GNAI3
SCHEMBL25887714 0.98 MEN1 (0.74) MEN1KMT2APAOXSLC6A5GNAI3
SCHEMBL15856109 0.98 MEN1 (0.74) MEN1KMT2APAOXSLC6A5GNAI3
SCHEMBL7478566 0.98 MEN1 (0.74) MEN1KMT2APAOXSLC6A5GNAI3
SCHEMBL14608401 0.98 MEN1 (0.74) MEN1KMT2APAOXSLC6A5GNAI3
SCHEMBL15187041 0.96 MEN1 (0.77) MEN1KMT2APAOXSLC6A5GNAI3
SCHEMBL7023116 0.89
SCHEMBL11758762 0.87 MEN1 (0.94) MEN1KMT2ACASP2SMN1; SMN2ALDH1A1
SCHEMBL9259257 0.87 MEN1 (0.94) MEN1KMT2ACASP2SMN1; SMN2ALDH1A1
SCHEMBL21765846 0.87 MEN1 (0.94) MEN1KMT2ACASP2SMN1; SMN2ALDH1A1

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-0431783-A1 Preparation of monosubstituted dithiooxamide compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-12 EP disclosed