SCHEMBL5334841

SCHEMBL5334841

CCCC[C@@]1(n2cnc3c(N)ncnc32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.56
P2RX3 P56373 4/20 0.56
P2RX4 Q99571 3/20 0.56
P2RX2 Q9UBL9 2/20 0.55
P2RY1 P47900 3/20 0.53
P2RY2 P41231 3/20 0.53
SRC P12931 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ENTPD1 P49961 2/20 0.52
RNASEL Q05823 1/20 0.52

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
SCHEMBL28365821 0.97 P2RX1 (0.54) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL8435892 0.95 P2RX1 (0.57) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30211839 0.92 P2RY1 (0.54) P2RY1P2RY2SRCSMN1; SMN2ENTPD1
SCHEMBL1085901 0.92 P2RX1 (0.59) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL8441745 0.91 P2RX3 (0.51) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL15210133 0.90 P2RY1 (0.53) P2RX3P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL29477144 0.89 P2RX1 (0.55) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL1085862 0.89 P2RX1 (0.55) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL1263520 0.89 P2RX1 (0.54) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30211840 0.88 P2RY1 (0.46) P2RX1P2RX3P2RX4P2RX2P2RY1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US claimed
WO-2007051604-A2 NOVEL 2,4-DICHLOROPHENOXY ACETIC ACID DERIVATIVES AND USE THEREOF IN DIAGNOSTIC AND ANALYTIC DETECTION METHODS FORSCHUNGSZENTRUM BORSTEL (DE) 2007-05-10 WO disclosed
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US disclosed
US-5639653-A ADMINISTERING MONOALKYL- OR ALKENYL-PYROPHOSPHATE TO MAMMAL TO STIMULATE LYMPHOCYTE CELL GROWTH AND ENHANCE IMMUNE RESPONSE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSTIY (US) 1997-06-17 US disclosed