SCHEMBL16774475

SCHEMBL16774475

COC(=O)c1ccc([N+](=O)[O-])cc1[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NT5E P21589 1/20 0.38
▸ LGALS3 P17931 4/20 0.38
▸ LGALS4 P56470 4/20 0.38
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BCHE P06276 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
SCHEMBL16774476 0.78 ADRB2 (0.45) POLBKMT2APTPN2PTPN1MEN1
SCHEMBL15481817 0.72 ALDH1A1 (0.51) POLBKMT2APTPN2PTPN1MEN1
SCHEMBL17471056 0.72 ALDH1A1 (0.51) POLBKMT2APTPN2PTPN1MEN1
SCHEMBL28425890 0.71 LGALS3 (0.46) POLBKMT2APTPN2PTPN1MEN1
SCHEMBL18298134 0.71 PTPN1 (0.42) POLBKMT2APTPN1MEN1MAPT
SCHEMBL16685961 0.69 HTT (0.47) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL14686864 0.69 HTT (0.54) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL306161 0.67 POLB (0.81) POLBKMT2APTPN2PTPN1MEN1
SCHEMBL1163261 0.67 ADRB2 (0.56) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL20776672 0.66 PTPN2 (0.50) POLBKMT2APTPN2PTPN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 — — EP disclosed
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 — — EP disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 — — EP disclosed
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