SCHEMBL9254670

SCHEMBL9254670

CCC(=O)NCC(C)CCCNC(=S)C(N)=S

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP7 Q9UHL4 2/20 0.33
RRM1 P23921 1/20 0.32
RECQL P46063 1/20 0.31
EPHX1 P07099 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9254272 0.94 MEN1 (0.47) MEN1KMT2ADPP7RRM1RECQL
SCHEMBL9250951 0.87 CASP2 (0.38) MEN1KMT2ADPP7RRM1
SCHEMBL9254145 0.85 FAAH (0.46) MEN1KMT2ARRM1
SCHEMBL9249825 0.85 FAAH (0.46) MEN1KMT2ARRM1
SCHEMBL9250166 0.85 FAAH (0.46) MEN1KMT2ARRM1
SCHEMBL9250753 0.81 CASP2 (0.41) DPP7
SCHEMBL9247182 0.80 MEN1 (0.42) MEN1KMT2ADPP7RRM1GNAI3
SCHEMBL9250799 0.79 FAAH (0.49) MEN1KMT2A
SCHEMBL9256512 0.79 FAAH (0.49) MEN1KMT2A
SCHEMBL9254621 0.79 FAAH (0.49) MEN1KMT2A

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 7 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 claimed
EP-0434213-A1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP claimed
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
EP-0431783-A1 Preparation of monosubstituted dithiooxamide compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-12 EP disclosed