SCHEMBL7656251

SCHEMBL7656251

O=C(c1cccc(C(=O)N(CC(O)CO)CC(O)CO)n1)N(CC(O)CO)CC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
SCN9A Q15858 1/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
SCN5A Q14524 1/20 0.32
KCND3 Q9UK17 1/20 0.32

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
SCHEMBL7651870 0.84 TDP1 (0.41) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7651990 0.83 ROCK2 (0.39) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7107198 0.83
SCHEMBL7106667 0.79 KCNA5 (0.31) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL7650152 0.74 MLYCD (0.42) KDM4EL3MBTL1
SCHEMBL7663915 0.74 CYP1A2 (0.36) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7656985 0.74 L3MBTL1 (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7659676 0.72 CYP1A2 (0.37) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL590665 0.72 SIRT6 (0.42) TSHRSCN9AKMT2A
SCHEMBL12487467 0.72 ALDH1A1 (0.50) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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