SCHEMBL7655871

SCHEMBL7655871

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 8/20 0.38
P4HA1 P13674 1/20 0.38
MIF P14174 1/20 0.38
MAPK1 P28482 2/20 0.37
MLYCD O95822 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PNP P00491 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR3 P49019 1/20 0.33
TACR1 P25103 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
ITK Q08881 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
SCHEMBL7658471 0.87 ROCK2 (0.39) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7658827 0.86 P4HTM (0.36) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7106680 0.84 MEN1 (0.36) PNPKMT2ASCN9ASCN10A
SCHEMBL7658682 0.82 MLYCD (0.43) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7655050 0.80 HDAC4 (0.44) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL840870 0.77 P4HTM (0.53) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7655696 0.76 P4HTM (0.40) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL7654546 0.75 KMT2A (0.38) KDM4EL3MBTL1KMT2ATACR1ALDH1A1
SCHEMBL7655284 0.75 CYP1A2 (0.39) MAPK1KDM4EL3MBTL1KMT2ANPC1
SCHEMBL7104663 0.75 CNR1 (0.32)

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