SCHEMBL7654705

SCHEMBL7654705

O=C(NC(O)CC(O)CO)c1cncc(C(=O)NC(O)CC(O)CO)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
CASP3 P42574 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
XDH P47989 3/20 0.38
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PTGS2 P35354 5/20 0.36
PTGS1 P23219 4/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7652131 0.81 CNR1 (0.34)
SCHEMBL7653658 0.80 KDM4E (0.44) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7653650 0.78 KDM4E (0.45) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7658603 0.77 MME (0.39)
SCHEMBL7652930 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL7655301 0.76 ALDH1A1 (0.43) KDM4EALDH1A1MAPK1POLB
SCHEMBL7654698 0.75 KDM4E (0.44) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7660893 0.74 KDM4E (0.47) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7663622 0.71 POLB (0.41) KDM4EALOX15POLBPTGS2PTGS1
SCHEMBL9284458 0.70 LMNA (0.38) MAPK1

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