SCHEMBL14204804

SCHEMBL14204804

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HLCS P50747 3/20 0.69
HINT1 P49773 1/20 0.60
P2RY1 P47900 3/20 0.53
P2RY2 P41231 2/20 0.53
SRC P12931 1/20 0.53
P2RX1 P51575 1/20 0.53
P2RX3 P56373 1/20 0.53
P2RX4 Q99571 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MACROD2 A1Z1Q3 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
MACROD1 Q9BQ69 1/20 0.51
TRPM2 O94759 1/20 0.51
AURKA O14965 1/20 0.50

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
SCHEMBL14204794 1.00 HLCS (0.69) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204788 0.97 HLCS (0.72) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230316 0.94 HLCS (0.71) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230476 0.94 HLCS (0.71) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204805 0.94 HLCS (0.71) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204803 0.94 HLCS (0.71) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204799 0.93 HLCS (0.72) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14204789 0.93 HLCS (0.72) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230471 0.93 HLCS (0.72) HLCSHINT1P2RY1P2RY2SRC
SCHEMBL14230313 0.93 HLCS (0.72) HLCSHINT1P2RY1P2RY2SRC

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
US-7365178-B2 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. (US) 2008-04-29 US disclosed