SCHEMBL888170

SCHEMBL888170

CC(C)(C)OC(=O)N(Cc1ccc(C#CCNC(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ncnc2c1ncn2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
P2RY6 Q15077 1/20 0.32

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
SCHEMBL12762667 0.92 ADRA2A (0.32) ADRA2ADRD5DRD3P2RY6
SCHEMBL12570166 0.92 ADRA2A (0.32) ADRA2ADRD5DRD3P2RY6
SCHEMBL12762670 0.87 SLC29A1 (0.35)
SCHEMBL12570168 0.86 SLC29A1 (0.33)
SCHEMBL12762693 0.86 ADRA2A (0.33) ADRA2ADRD5DRD3P2RY6
SCHEMBL12570219 0.86 ADRA2A (0.33) ADRA2ADRD5DRD3P2RY6
SCHEMBL12762666 0.86 SLC29A1 (0.33)
SCHEMBL12570159 0.85 SLC29A1 (0.36)
SCHEMBL12570172 0.83 SLC29A1 (0.33) ADRA2ADRD5DRD3P2RY6
SCHEMBL12762669 0.83 SLC29A1 (0.33) ADRA2ADRD5DRD3P2RY6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361727-B2 3′OH-unblocked, nucleotides and nucleosides base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-01-29 US disclosed
US-20110287427-A1 3'OH-UNBLOCKED, NUCLEOTIDES AND NUCLEOSIDES BASE MODIFIED WITH LABELS AND PHOTOCLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2011-11-24 US disclosed