SCHEMBL7658682

SCHEMBL7658682

O=C(c1ccc(C(=O)N(CC(CO)CO)CC(CO)CO)nc1)N(CC(CO)CO)CC(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.43
P4HTM Q9NXG6 7/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
MAPK1 P28482 2/20 0.36
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CFTR P13569 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PNP P00491 1/20 0.31

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
SCHEMBL7650152 0.86 MLYCD (0.42) MLYCDP4HTMP4HA1MIFMAPK1
SCHEMBL7109261 0.83 MLYCD (0.31) MLYCDL3MBTL1ALDH1A1
SCHEMBL7655871 0.82 P4HTM (0.38) MLYCDP4HTMP4HA1MIFMAPK1
SCHEMBL7656690 0.79 P4HTM (0.43) MLYCDP4HTMP4HA1MIFMAPK1
SCHEMBL10460373 0.77 MLYCD (0.48) MLYCDP4HTMP4HA1MIFMAPK1
SCHEMBL7658552 0.73 CASP3 (0.34) MLYCDKDM4EL3MBTL1ALDH1A1CFTR
SCHEMBL7651870 0.73 TDP1 (0.41) MAPK1KDM4EL3MBTL1NPC1ALDH1A1
SCHEMBL7108508 0.73
SCHEMBL7655696 0.72 P4HTM (0.40) MLYCDP4HTMP4HA1MIFMAPK1
SCHEMBL7658471 0.72 ROCK2 (0.39) MLYCDP4HTMP4HA1MIFMAPK1

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