SCHEMBL9216396

SCHEMBL9216396

Cc1cn([C@H]2C[C@H]3OC(C)(C)OC[C@H]3O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NT5M Q9NPB1 1/20 0.59
DHFR P00374 1/20 0.58
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TK1 P04183 7/20 0.52
TK2 O00142 1/20 0.46

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
SCHEMBL13847480 1.00 NT5M (0.59) NT5MDHFRALDH1A1NPSR1TK1
SCHEMBL10523447 0.85 TK2 (0.47) NT5MDHFRALDH1A1NPSR1TK1
SCHEMBL10523444 0.85 TK2 (0.47) NT5MDHFRALDH1A1NPSR1TK1
SCHEMBL2455603 0.83 DHFR (0.67) NT5MDHFRTK1
SCHEMBL2511666 0.83 DHFR (0.67) NT5MDHFRTK1
SCHEMBL12303789 0.83 DHFR (0.67) NT5MDHFRTK1
SCHEMBL31084252 0.83 DHFR (0.67) NT5MDHFRTK1
SCHEMBL9222238 0.81 NT5M (0.43) NT5MDHFRALDH1A1NPSR1
SCHEMBL22992469 0.80 DHFR (0.60) NT5MDHFRTK1
SCHEMBL8962393 0.80 DHFR (0.60) NT5MDHFRTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384396-A Process for the deoxygenation of nucleosides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-01-24 US disclosed