SCHEMBL6938798

SCHEMBL6938798

Cc1nc(N)c(COP(=O)(O)O)c(C=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.55
YWHAG P61981 1/20 0.55
YWHAZ P63104 1/20 0.55
P2RX2 Q9UBL9 4/20 0.54
ESR1 P03372 1/20 0.54
PTGS1 P23219 1/20 0.54
ACP1 P24666 1/20 0.54
PDE4A P27815 1/20 0.54
P2RX1 P51575 1/20 0.54
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 5/20 0.49
P2RY1 P47900 4/20 0.49
KDM4E B2RXH2 3/20 0.49
P2RX3 P56373 2/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
P2RX5 Q93086 2/20 0.49

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
SCHEMBL26180887 0.80 P2RX7 (0.52) P2RX7YWHAGYWHAZP2RX2ESR1
SCHEMBL30621209 0.80 P2RX7 (0.52) P2RX7YWHAGYWHAZP2RX2ESR1
SCHEMBL26180896 0.76 P2RX7 (0.48) P2RX7YWHAGYWHAZP2RX2ESR1
SCHEMBL30621214 0.76 P2RX7 (0.48) P2RX7YWHAGYWHAZP2RX2ESR1
SCHEMBL7093516 0.73 P2RX7 (0.83) P2RX7YWHAGYWHAZP2RX2MAPT
SCHEMBL7090990 0.73 P2RX7 (0.74) P2RX7YWHAGYWHAZP2RX2MAPT
SCHEMBL4934793 0.73 P2RX7 (0.60) P2RX7YWHAGYWHAZP2RX2ESR1
SCHEMBL25271476 0.71 P2RX7 (1.00) P2RX7YWHAGYWHAZP2RX2MAPT
SCHEMBL14702229 0.71 P2RX7 (1.00) P2RX7YWHAGYWHAZP2RX2MAPT
SCHEMBL32686684 0.71 P2RX7 (1.00) P2RX7YWHAGYWHAZP2RX2MAPT

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-20030101005-A1 Crystals and structures of perosamine synthase homologs STRUCTURAL GENOMIX, INC. 2003-05-29 US disclosed
WO-2003006617-A2 CRYSTALS AND STRUCTURES OF PEROSAMINE SYNTHASE HOMOLOGS STRUCTURAL GENOMIX, INC. (US) 2003-01-23 WO disclosed