SCHEMBL7103645

SCHEMBL7103645

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.35
SCN2A Q99250 1/20 0.35
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
NTRK1 P04629 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL7104658 0.94 SMN1; SMN2 (0.35) SCN10ASCN2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7108469 0.85 CNR2 (0.41) PRMT5WDR77KDM4EALDH1A1LMNA
SCHEMBL7654531 0.83 LMNA (0.47) KDM4EALDH1A1LMNAHPGD
SCHEMBL7110167 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDNTRK1
SCHEMBL7108548 0.83 SCN10A (0.37) SCN10ASCN2AKDM4EALDH1A1HSD17B10
SCHEMBL7658847 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL7109193 0.80 ICAM1 (0.40) PRMT5WDR77KDM4EALDH1A1SMN1; SMN2
SCHEMBL7109282 0.77 CNR1 (0.42) CNR1
SCHEMBL7663932 0.75 ALDH1A1 (0.44) PRMT5KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8061648 0.75 ALDH1A1 (0.42) PRMT5KDM4EALDH1A1SMN1; SMN2LMNA

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