SCHEMBL9551996

SCHEMBL9551996

O=c1ccn([C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.59
SLC28A1 O00337 1/20 0.40
SLC28A2 O43868 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.40
P2RY2 P41231 6/20 0.36
P2RY6 Q15077 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RY4 P51582 2/20 0.35
TK1 P04183 1/20 0.35
TYMS P04818 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL2114483 0.92 DUT (0.52) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6330034 0.88 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6330032 0.88 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6328518 0.88 DUT (0.50) DUTMEN1KMT2ATK1TYMS
SCHEMBL15094053 0.84 DUT (0.50) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6034458 0.84 DUT (0.53) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9723513 0.83 DUT (0.46) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL28515509 0.83 DUT (0.46) DUTMEN1KMT2ATK1TYMS
SCHEMBL51722 0.83 DUT (0.53) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL4954183 0.83 DUT (0.53) DUTSLC28A1SLC28A2SLC29A1SLC28A3

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
US-5190926-A HIV virus UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-03-02 US disclosed
US-5145840-A Treatment of virac and bacterial infections; aids BURROUGHS WELLCOME CO. (US) 1992-09-08 US disclosed
US-5064946-A 3-azido-2,3-dideoxy-B-D-erythro-pentofuranosyl derivatives of 4(1H)-pyrimidinones; antiretroviral, anti-AIDS BURROUGHS WELLCOME CO. (US) 1991-11-12 US disclosed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP disclosed