SCHEMBL16774476

SCHEMBL16774476

Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ ADRB3 P13945 2/20 0.45
▸ NT5E P21589 1/20 0.43
▸ LGALS3 P17931 4/20 0.43
▸ LGALS4 P56470 4/20 0.43
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR1H4 Q96RI1 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
SCHEMBL28425890 0.89 LGALS3 (0.46) ADRB2ADRB1ADRB3NT5ELGALS3
SCHEMBL28423018 0.83 LGALS3 (0.42) LGALS3LGALS4PTPN1MAPTNPC1
SCHEMBL16774751 0.81 LGALS3 (0.42) LGALS3LGALS4PTPN1MAPTALDH1A1
SCHEMBL28430166 0.81 LGALS3 (0.47) LGALS3LGALS4PTPN1MAPTALDH1A1
SCHEMBL20557379 0.80 HTT (0.38) LGALS3LGALS4PTPN1ALDH1A1NPC1
SCHEMBL16774475 0.78 POLB (0.41) NT5ELGALS3LGALS4PTPN2PTPN1
SCHEMBL28427525 0.77 NPC1 (0.40) ADRB2ADRB1ADRB3NT5ELGALS3
SCHEMBL28562523 0.77 NPC1 (0.40) ADRB2ADRB1ADRB3NT5ELGALS3
SCHEMBL17471056 0.73 ALDH1A1 (0.51) ADRB2ADRB1ADRB3NT5EPTPN2
SCHEMBL15481817 0.73 ALDH1A1 (0.51) ADRB2ADRB1ADRB3NT5EPTPN2

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-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 — — EP disclosed
CN-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN 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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