SCHEMBL7745802

SCHEMBL7745802

O=c1ccn([C@@]2(I)C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 13/20 0.59
P2RY2 P41231 11/20 0.54
P2RY4 P51582 7/20 0.54
POLA1 P09884 1/20 0.54

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
SCHEMBL9805678 0.90 P2RY6 (0.50) P2RY6P2RY2P2RY4
SCHEMBL1129337 0.88 P2RY6 (0.60) P2RY6P2RY2P2RY4POLA1
SCHEMBL26676224 0.87 P2RY6 (0.59) P2RY6P2RY2P2RY4POLA1
SCHEMBL8441087 0.87 P2RY6 (0.59) P2RY6P2RY2P2RY4POLA1
SCHEMBL150274 0.87 P2RY6 (0.59) P2RY6P2RY2P2RY4POLA1
SCHEMBL28293726 0.86 P2RY6 (0.58) P2RY6P2RY2P2RY4POLA1
SCHEMBL1129233 0.85 P2RY6 (0.62) P2RY6P2RY2P2RY4POLA1
SCHEMBL30225451 0.85 P2RY6 (0.58) P2RY6P2RY2P2RY4POLA1
SCHEMBL8436036 0.85 P2RY6 (0.58) P2RY6P2RY2P2RY4POLA1
SCHEMBL14913974 0.84 P2RY6 (0.57) P2RY6P2RY2P2RY4POLA1

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 5 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
WO-1990006320-A1 SUBSTRATE FOR POLYMERASE ACTIVITY DETERMINATION KAELLANDER CLAS FREDRIK RUNESS (SE) 1990-06-14 WO disclosed