SCHEMBL7656985

SCHEMBL7656985

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALPL P05186 1/20 0.35
KDM4A O75164 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
SCHEMBL2778476 0.82 TDP1 (0.43) L3MBTL1KDM4EALOX15TSHRACMSD
SCHEMBL7652649 0.81 HTR2C (0.46) L3MBTL1KDM4EALOX15TSHRACMSD
SCHEMBL7103529 0.80 L3MBTL1 (0.42) L3MBTL1POLBGAAMAPTALPL
SCHEMBL2401264 0.79 ADRA2C (0.42) L3MBTL1KDM4EALOX15TSHRACMSD
SCHEMBL3677823 0.79 CES2 (0.52) L3MBTL1KDM4EALOX15LMNAKMT2A
SCHEMBL12487684 0.79 ALDH1A1 (0.48) KDM4ELMNATP53GAA
SCHEMBL15898875 0.78 L3MBTL1 (0.69) L3MBTL1TSHRTDP1MEN1KMT2A
SCHEMBL12487467 0.78 ALDH1A1 (0.50) L3MBTL1KDM4EALOX15TSHRACMSD
SCHEMBL28817951 0.77 PIM1 (0.39) L3MBTL1KDM4EALOX15TSHRACMSD
SCHEMBL7651870 0.76 TDP1 (0.41) L3MBTL1KDM4EALOX15TSHRACMSD

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