SCHEMBL7654754

SCHEMBL7654754

O=C(NCCO)c1cccc(C(=O)NCCO)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
CNR1 P21554 1/20 0.50
POLB P06746 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
HPGD P15428 1/20 0.47
P2RX7 Q99572 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6451392 0.87 P2RX7 (0.67) LMNAALDH1A1KDM4EMAPTCASP1
SCHEMBL14371962 0.87 ALDH1A1 (0.65) LMNAALDH1A1KDM4EMAPTCASP1
SCHEMBL23015720 0.84 LMNA (0.50) LMNAALDH1A1KDM4EMAPTCASP1
SCHEMBL15580847 0.84 LMNA (0.62) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL29793824 0.84 LMNA (0.62) LMNAALDH1A1POLBCA1CA2
SCHEMBL23015719 0.83 LMNA (0.49) LMNAALDH1A1KDM4EMAPTCASP1
SCHEMBL13116574 0.81 HPGD (0.68) LMNAALDH1A1KDM4EMAPTPOLB
SCHEMBL18157897 0.81 LMNA (0.68) LMNAKDM4EHPGDTSHRHTT
SCHEMBL178271 0.80 LMNA (0.57) LMNAALDH1A1POLBCA1CA2
SCHEMBL20729906 0.80 LMNA (0.57) LMNAALDH1A1KDM4ECNR1POLB

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