SCHEMBL7108736

SCHEMBL7108736

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE5A O76074 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 2/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CNR1 P21554 2/20 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
SCHEMBL7105213 0.93 CNR2 (0.39) CNR2KDM4EGLAL3MBTL1PDE5A
SCHEMBL7658923 0.81 CNR2 (0.53) CNR2KDM4EL3MBTL1PDE5AKMT2A
SCHEMBL7107999 0.80 CNR2 (0.44) CNR2KDM4EGLAL3MBTL1PDE5A
SCHEMBL7660743 0.77 KDM4E (0.47) KDM4EGLAL3MBTL1KMT2A
SCHEMBL7656358 0.72 ALDH1A1 (0.49) CNR2KDM4EGLAL3MBTL1KMT2A
SCHEMBL7108034 0.69 CNR1 (0.44) CNR2CNR1
SCHEMBL19283447 0.69 KDM4E (0.54) CNR2KDM4EGLAL3MBTL1
SCHEMBL11253022 0.69 KDM4E (0.50) KDM4EGLAL3MBTL1
SCHEMBL24609419 0.67 CNR2 (0.38) CNR2L3MBTL1PDE5ACNR1
SCHEMBL158634 0.67 ALDH1A1 (0.36) CNR2KDM4EGLAL3MBTL1GRM5

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