SCHEMBL7105213

SCHEMBL7105213

O=C(NC(CO)(CO)CO)c1cnc(C(=O)NC(CO)(CO)CO)cn1.O=C(NC(CO)(CO)CO)c1cncc(C(=O)NC(CO)(CO)CO)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.39
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE5A O76074 1/20 0.34
GRM5 P41594 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LONP1 P36776 1/20 0.32
CNR1 P21554 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
SCHEMBL7108736 0.93 CNR2 (0.38) CNR2KDM4EGLAL3MBTL1PDE5A
SCHEMBL7107999 0.89 CNR2 (0.44) CNR2KDM4EGLAL3MBTL1PDE5A
SCHEMBL7103718 0.76 CNR1 (0.52) KDM4ESMN1; SMN2CNR1
SCHEMBL7103507 0.76 KMT2A (0.53) CNR2KDM4ECNR1
SCHEMBL7658923 0.75 CNR2 (0.53) CNR2KDM4EL3MBTL1PDE5APOLB
SCHEMBL7106764 0.73 CNR1 (0.46) CNR2CNR1
SCHEMBL7656358 0.73 ALDH1A1 (0.49) CNR2KDM4EGLAL3MBTL1POLB
SCHEMBL7103670 0.72 KMT2A (0.55) CNR2KDM4ECNR1
SCHEMBL7660743 0.72 KDM4E (0.47) KDM4EGLAL3MBTL1POLBSMN1; SMN2
SCHEMBL7109193 0.70 ICAM1 (0.40) CNR2KDM4ESMN1; SMN2

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 1 patent. 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