SCHEMBL3877136

SCHEMBL3877136

NCC(=O)NCC(=O)OCl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.34
TERT O14746 1/20 0.34
TET2 Q6N021 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MMP2 P08253 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
SCHEMBL9512043 0.79 RECQL (0.40) RECQLGAATERTTET2CA1
SCHEMBL851945 0.79 RECQL (0.61) RECQLGAATET2CA1CA2
SCHEMBL18820682 0.78 RECQL (0.45) RECQLGAATERTTET2KDM4E
SCHEMBL30946960 0.77 RECQL (0.39) RECQLGAATERTTET2CA1
SCHEMBL21141435 0.77 RECQL (0.39) RECQLGAATERTTET2CA1
Hydrochloric Acid SCHEMBL919797 0.77 RECQL (0.59) RECQLGAATET2CA1CA2
SCHEMBL30046593 0.76 RECQL (0.57) RECQLGAATERTTET2CA1
SCHEMBL2198462 0.74 GAA (0.63) RECQLGAALMNA
Hydrochloric Acid SCHEMBL13837362 0.74 RECQL (0.55) RECQLGAATERTTET2CA1
SCHEMBL7648548 0.74 GAA (0.40) RECQLGAATERT

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-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed