SCHEMBL7654698

SCHEMBL7654698

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
CASP3 P42574 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.40
XDH P47989 3/20 0.38
CCR1 P32246 1/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7109282 0.80 CNR1 (0.42) CCR1
SCHEMBL7653650 0.79 KDM4E (0.45) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7658847 0.77 KDM4E (0.48) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7104649 0.76 CNR1 (0.44) CCR1
SCHEMBL7660893 0.75 KDM4E (0.47) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7654705 0.75 KDM4E (0.40) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL7109870 0.75 CNR1 (0.44) KDM4ECCR1GAA
SCHEMBL7655289 0.75 ALDH1A1 (0.44) KDM4EALDH1A1POLB
SCHEMBL7653658 0.75 KDM4E (0.44) KDM4ECASP3ALDH1A1HSD17B10HPGD
SCHEMBL8076357 0.72 PYGL (0.35) KDM4EALDH1A1POLBGAAROCK2

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 6 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
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO 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
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed