SCHEMBL14853709

SCHEMBL14853709

COP(=O)(OCC1OC(n2cnc3c(SC)ncnc32)C(O)C1O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.59
ENPP1 P22413 3/20 0.59
P2RY12 Q9H244 1/20 0.59
P2RX3 P56373 5/20 0.59
P2RY2 P41231 3/20 0.59
P2RX1 P51575 3/20 0.59
P2RX4 Q99571 3/20 0.59
P2RX2 Q9UBL9 3/20 0.59
SRC P12931 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
ADORA1 P30542 2/20 0.58
P2RY11 Q96G91 2/20 0.58
TRPM2 O94759 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
PRKAG1 P54619 1/20 0.58

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
SCHEMBL14831998 0.88 DNPH1 (0.73) P2RY1P2RX3P2RY2P2RX1P2RX4
SCHEMBL3862068 0.88 P2RX3 (0.61) P2RY1ENPP1P2RX3P2RY2P2RX1
SCHEMBL29015761 0.88 P2RY1 (0.77) P2RY1ENPP1P2RX3P2RY2P2RX1
SCHEMBL15084467 0.86 ADORA1 (0.67) P2RY1P2RY12P2RX3P2RY2P2RX1
SCHEMBL3858337 0.84 P2RY1 (0.62) P2RY1ENPP1P2RX3P2RY2P2RX1
SCHEMBL3792441 0.82 P2RY1 (0.82) P2RY1ENPP1P2RX3P2RY2P2RX1
SCHEMBL28755762 0.82 P2RY1 (0.82) P2RY1ENPP1P2RX3P2RY2P2RX1
SCHEMBL5838786 0.82 P2RY1 (0.82) P2RY1ENPP1P2RX3P2RY2P2RX1
SCHEMBL15038133 0.82 P2RY1 (0.65) P2RY1P2RX3P2RY2P2RX1P2RX4
SCHEMBL15108925 0.82 P2RY1 (0.81) P2RY1ENPP1P2RX3P2RY2P2RX1

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
WO-2013052523-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-04-11 WO disclosed