SCHEMBL7654022

SCHEMBL7654022

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 7/20 0.35
P4HA1 P13674 1/20 0.35
MIF P14174 1/20 0.35
MAPK1 P28482 2/20 0.35
MLYCD O95822 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA5 P31644 1/20 0.33
ATR Q13535 1/20 0.32
GRM5 P41594 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
AHR P35869 1/20 0.31
HCAR3 P49019 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL7663615 0.86 SIRT6 (0.30)
SCHEMBL7655707 0.83 P4HTM (0.37) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7655696 0.81 P4HTM (0.40) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7654010 0.80 PNP (0.37) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7658471 0.78 ROCK2 (0.39) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7663915 0.77 CYP1A2 (0.36) MAPK1KDM4EL3MBTL1MAPTNPC1
SCHEMBL7654556 0.77 KMT2A (0.35) KDM4EL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7650152 0.74 MLYCD (0.42) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7658827 0.71 P4HTM (0.36) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7655871 0.70 P4HTM (0.38) P4HTMP4HA1MIFMAPK1MLYCD

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