SCHEMBL7103529

SCHEMBL7103529

O=C(c1cncc(C(=O)N(CCO)CCO)n1)N(CCO)CCO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 1/20 0.35
ALPL P05186 2/20 0.33
POLB P06746 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ROCK2 O75116 1/20 0.30
NTRK2 Q16620 1/20 0.30
LOX P28300 1/20 0.30
AOC3 Q16853 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
SCHEMBL12678022 0.82 SPR (0.39) L3MBTL1CA2
SCHEMBL7107359 0.81 HDAC4 (0.39) POLB
SCHEMBL7656985 0.80 L3MBTL1 (0.53) L3MBTL1ALPLPOLBGAAMAPT
SCHEMBL18131023 0.79 KDM4E (0.50) POLB
SCHEMBL7105124 0.79 L3MBTL1 (0.41) L3MBTL1CA2ALPLPOLBMAPT
SCHEMBL7650135 0.76 NTRK2 (0.44) L3MBTL1CA2ALPLPOLBNTRK2
SCHEMBL7108508 0.76
SCHEMBL7107198 0.74
SCHEMBL8052564 0.71 POLB (0.36) L3MBTL1CA2ALPLPOLBNTRK2
SCHEMBL7103619 0.71

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP 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 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