SCHEMBL7743363

SCHEMBL7743363

Nc1ncnc2c1ncn2[C@@]1(Br)C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.56
P2RX3 P56373 4/20 0.56
P2RX2 Q9UBL9 2/20 0.56
P2RX4 Q99571 3/20 0.55
P2RY1 P47900 9/20 0.54
P2RY2 P41231 4/20 0.54
SRC P12931 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RNASEL Q05823 1/20 0.53
P2RY11 Q96G91 1/20 0.51
MACROD2 A1Z1Q3 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
MACROD1 Q9BQ69 1/20 0.51
TRPM2 O94759 1/20 0.51
PARG Q86W56 1/20 0.49
POLB P06746 1/20 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
SCHEMBL1763183 0.89 P2RX3 (0.57) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL30023659 0.89 P2RX3 (0.57) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL30633441 0.88 P2RX1 (0.56) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL596738 0.86 P2RX1 (0.57) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL28794808 0.84 P2RX1 (0.53) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL29725493 0.84 P2RX1 (0.53) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL28561820 0.82 P2RX1 (0.60) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL28791555 0.82 P2RX1 (0.51) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL11031781 0.82 P2RX1 (0.62) P2RX1P2RX3P2RX2P2RX4P2RY1
SCHEMBL30777206 0.81 P2RX1 (0.61) P2RX1P2RX3P2RX2P2RX4P2RY1

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
EP-0851939-A4 METHODS FOR LABELING DNA ENDS WITH HALOGENATED NUCLEOTIDES AND DETECTING SAME WITH ANTIBODIES NEW YORK MEDICAL COLLEGE (US) 2001-02-28 EP disclosed
US-5912126-A PRESERVE CELLULAR MORPHOLOGY NEW YORK MEDICAL COLLEGE 1999-06-15 US disclosed
EP-0851939-A1 METHODS FOR LABELING DNA ENDS WITH HALOGENATED NUCLEOTIDES AND DETECTING SAME WITH ANTIBODIES New York Medical College (US) 1998-07-08 EP disclosed
WO-1997008345-A1 METHODS FOR LABELING DNA ENDS WITH HALOGENATED NUCLEOTIDES AND DETECTING SAME WITH ANTIBODIES NEW YORK MEDICAL COLLEGE (US) 1997-03-06 WO disclosed