SCHEMBL7656399

SCHEMBL7656399

CC(CO)C(O)NC(=O)c1cccc(C(=O)NC(O)C(C)CO)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 4/20 0.41
POLB P06746 1/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.39
CTSA P10619 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7650887 0.84 CNR1 (0.39) CTSA
SCHEMBL7658839 0.80 CNR1 (0.40) CNR2LMNA
SCHEMBL7107812 0.78 POLB (0.47) P2RX7CNR2POLBLMNACTSA
SCHEMBL7663610 0.75 P2RX7 (0.44) P2RX7POLBLMNACTSAKDM4E
SCHEMBL18157898 0.75 MEN1 (0.56) P2RX7ALDH1A1L3MBTL1POLBLMNA
SCHEMBL7663622 0.74 POLB (0.41) P2RX7CNR2POLBLMNACTSA
SCHEMBL7659871 0.73 LMNA (0.45) P2RX7ALDH1A1CNR2POLBLMNA
SCHEMBL3105049 0.71 KDM4E (0.61) ALDH1A1POLBLMNAKDM4EMEN1
SCHEMBL20729958 0.71 BRD4 (0.55) ALDH1A1L3MBTL1CNR2POLBBRD4
SCHEMBL24742673 0.71 LMNA (0.46) P2RX7ALDH1A1L3MBTL1CNR2POLB

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