SCHEMBL7106667

SCHEMBL7106667

O=C(c1cnc(C(=O)N(CC(O)CO)CC(O)CO)cn1)N(CC(O)CO)CC(O)CO

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
SCN5A Q14524 1/20 0.31
KCND3 Q9UK17 1/20 0.31
MLYCD O95822 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
SCHEMBL590665 0.92 SIRT6 (0.42)
SCHEMBL7650152 0.84 MLYCD (0.42) MLYCD
SCHEMBL7109261 0.83 MLYCD (0.31) MLYCD
SCHEMBL7107198 0.82
SCHEMBL7106490 0.82 MEN1 (0.36) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL7656251 0.79 KDM4E (0.39) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL7656151 0.75 CASP3 (0.34) MLYCD
SCHEMBL7663615 0.73 SIRT6 (0.30)
SCHEMBL7103591 0.71 SIRT6 (0.31)
SCHEMBL7107240 0.70 MEN1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed