SCHEMBL7109261

SCHEMBL7109261

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7658682 0.83 MLYCD (0.43) MLYCDALDH1A1L3MBTL1
SCHEMBL7106667 0.83 KCNA5 (0.31) MLYCD
SCHEMBL7106680 0.81 MEN1 (0.36)
SCHEMBL7108508 0.81
SCHEMBL7651870 0.78 TDP1 (0.41) ALDH1A1MAPTL3MBTL1
SCHEMBL590665 0.76 SIRT6 (0.42)
SCHEMBL7658552 0.74 CASP3 (0.34) MLYCDALDH1A1L3MBTL1
SCHEMBL7105124 0.74 L3MBTL1 (0.41) ALDH1A1MAPTL3MBTL1
SCHEMBL7103591 0.72 SIRT6 (0.31)
SCHEMBL7103531 0.69 MEN1 (0.33) ALDH1A1

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