SCHEMBL7743358

SCHEMBL7743358

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
P2RY1 P47900 6/20 0.52
ENPP1 P22413 2/20 0.52
P2RY2 P41231 5/20 0.51
P2RX1 P51575 2/20 0.51
P2RX3 P56373 2/20 0.51
P2RX2 Q9UBL9 2/20 0.51
P2RY11 Q96G91 1/20 0.49
SRC P12931 1/20 0.49
P2RX4 Q99571 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RNASEL Q05823 1/20 0.48

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
SCHEMBL6909227 0.90 POLB (0.58) POLBP2RY1ENPP1P2RY2P2RX1
SCHEMBL1763175 0.88 POLB (0.56) POLBP2RY1ENPP1P2RY2P2RX1
SCHEMBL28000715 0.81 POLB (0.57) POLBP2RY1ENPP1P2RY2P2RY11
SCHEMBL29375190 0.80 AHCY (0.55) POLBP2RY1ENPP1ALDH1A1
SCHEMBL28939795 0.80 AHCY (0.55) POLBP2RY1ENPP1ALDH1A1
Deoxyadenosine SCHEMBL3280985 0.80 POLB (0.72) POLBP2RY1ENPP1P2RY2P2RX1
SCHEMBL8836307 0.80 POLB (0.56) POLBP2RY1ENPP1P2RY2P2RY11
SCHEMBL8836270 0.80 POLB (0.56) POLBP2RY1ENPP1P2RY2P2RY11
SCHEMBL18785117 0.80 POLB (0.80) POLBP2RY1ENPP1P2RY2P2RX1
SCHEMBL5044161 0.80 POLB (0.80) POLBP2RY1ENPP1P2RY2P2RX1

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