SCHEMBL7654010

SCHEMBL7654010

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.37
P4HTM Q9NXG6 9/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MLYCD O95822 1/20 0.32
GABRA5 P31644 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR3 P49019 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
ATR Q13535 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL7104707 0.85 PNP (0.36) PNPKMT2A
SCHEMBL7655696 0.82 P4HTM (0.40) PNPP4HTMP4HA1MIFMAPK1
SCHEMBL7654022 0.80 P4HTM (0.35) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL7655707 0.79 P4HTM (0.37) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL7658827 0.78 P4HTM (0.36) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL7110077 0.78 PNP (0.32) PNP
SCHEMBL7654547 0.77 KMT2A (0.36) PNPKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL7654086 0.77 PNP (0.32) PNP
SCHEMBL7663905 0.77 CYP1A2 (0.37) PNPMAPK1KDM4EL3MBTL1KMT2A
SCHEMBL7658471 0.73 ROCK2 (0.39) P4HTMP4HA1MIFMAPK1KDM4E

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