SCHEMBL7655050

SCHEMBL7655050

CN(CCO)C(=O)c1ccc(C(=O)N(C)CCO)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
P4HTM Q9NXG6 2/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
PDK2 Q15119 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP11B2 P19099 1/20 0.40
HCAR3 P49019 2/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
DRD2 P14416 1/20 0.38
USP1 O94782 2/20 0.36
SLC6A7 Q99884 1/20 0.35

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
SCHEMBL24341942 0.84 TDP1 (0.42) HDAC4KDM4E
SCHEMBL7108522 0.83 SMO (0.40) HDAC4PDK2CYP11B2TLR9TLR8
SCHEMBL20327068 0.83 MTOR (0.39) HDAC4PDK2
SCHEMBL10795881 0.80 HDAC4 (0.54) HDAC4PDK2CYP11B2TLR9TLR8
SCHEMBL7655871 0.80 P4HTM (0.38) P4HTMP4HA1MIFBCHEACHE
SCHEMBL25094798 0.80 ESRRG (0.41) HDAC4
SCHEMBL24800710 0.80 HDAC4 (0.34) HDAC4CYP11B2
SCHEMBL7656690 0.80 P4HTM (0.43) P4HTMP4HA1MIFMAPK1HCAR3
SCHEMBL7658471 0.79 ROCK2 (0.39) P4HTMP4HA1MIFBCHEACHE
SCHEMBL7658827 0.78 P4HTM (0.36) P4HTMP4HA1MIFBCHEACHE

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