SCHEMBL7651870

SCHEMBL7651870

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7656251 0.84 KDM4E (0.39) TDP1TSHRKDM4EALOX15ACMSD
SCHEMBL7655284 0.83 CYP1A2 (0.39) TDP1TSHRKDM4EALOX15ACMSD
SCHEMBL7108508 0.82
SCHEMBL7109261 0.78 MLYCD (0.31) L3MBTL1ALDH1A1MAPT
SCHEMBL7656985 0.76 L3MBTL1 (0.53) TDP1TSHRKDM4EALOX15ACMSD
SCHEMBL7658682 0.73 MLYCD (0.43) KDM4EL3MBTL1ALDH1A1NPC1MAPK1
SCHEMBL12487467 0.73 ALDH1A1 (0.50) TDP1TSHRKDM4EALOX15ACMSD
SCHEMBL7661222 0.71 TDP1 (0.41) TDP1TSHRKDM4EALOX15ACMSD
SCHEMBL7651990 0.71 ROCK2 (0.39) TDP1TSHRKDM4EALOX15ACMSD
SCHEMBL2778476 0.70 TDP1 (0.43) TDP1TSHRKDM4EALOX15ACMSD

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