SCHEMBL7659871

SCHEMBL7659871

O=C(NC(O)CCO)c1cccc(C(=O)NC(O)CCO)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.43
P2RX7 Q99572 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CTSA P10619 3/20 0.38
CNR2 P34972 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7650766 0.83 CTSA (0.35) LMNAHPGDCTSACNR2
SCHEMBL7663622 0.80 POLB (0.41) LMNAPOLBP2RX7KDM4EALOX15
SCHEMBL7658593 0.79 CNR2 (0.38) LMNAPOLBALDH1A1HPGDCNR2
SCHEMBL7107812 0.77 POLB (0.47) LMNAPOLBP2RX7KDM4EALOX15
SCHEMBL8501576 0.75 HPGD (0.50) LMNAALOX15ALDH1A1HPGDMEN1
SCHEMBL7663610 0.75 P2RX7 (0.44) LMNAPOLBP2RX7KDM4EALOX15
SCHEMBL7657510 0.74 ALDH1A1 (0.45) LMNAPOLBKDM4EALDH1A1MEN1
SCHEMBL7656399 0.73 P2RX7 (0.42) LMNAPOLBP2RX7KDM4EALDH1A1
SCHEMBL7655302 0.72 CNR2 (0.50) LMNAPOLBP2RX7KDM4EALDH1A1
SCHEMBL7654754 0.72 LMNA (0.66) LMNAPOLBP2RX7KDM4EALOX15

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