SCHEMBL7108548

SCHEMBL7108548

O=C(NCC(CO)CO)c1cncc(C(=O)NCC(CO)CO)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.37
SCN2A Q99250 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL7108469 0.84 CNR2 (0.41) KDM4EALDH1A1LMNAHPGD
SCHEMBL7103645 0.83 SCN10A (0.35) SCN10ASCN2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7658648 0.82 LMNA (0.50) KDM4EALDH1A1LMNAHPGD
SCHEMBL7104694 0.81 HPGD (0.37) SMN1; SMN2ALDH1A1LMNAHPGDCNR1
SCHEMBL7109193 0.79 ICAM1 (0.40) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7661579 0.79 KDM4E (0.50) SCN10ASCN2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7104658 0.78 SMN1; SMN2 (0.35) SCN10ASCN2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7109274 0.77 CNR1 (0.50) SCN10ASCN2AKDM4EALDH1A1HSD17B10
SCHEMBL7108034 0.74 CNR1 (0.44) CNR1
SCHEMBL7661497 0.73 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1LMNA

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