SCHEMBL16774750

SCHEMBL16774750

COC(=O)c1ccc(Cl)cc1[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.40
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS4 P56470 1/20 0.38
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 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
SCHEMBL16774475 0.82 POLB (0.41) KMT2AMEN1LGALS3LGALS4ALDH1A1
SCHEMBL16774478 0.79 ABL1 (0.40) ABL1SLC6A4SLC6A3KMT2AMEN1
SCHEMBL16774751 0.76 LGALS3 (0.42) KMT2AMEN1LGALS3LGALS4FLT1
SCHEMBL18298144 0.76 ABL1 (0.39) ABL1SLC6A4SLC6A3KMT2AMEN1
SCHEMBL18298134 0.74 PTPN1 (0.42) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL16756914 0.69 UPP1 (0.49) KMT2AMEN1POLBHPGDMAPT
SCHEMBL6100118 0.66 ABL1 (0.70) ABL1SLC6A4SLC6A3KMT2AMEN1
SCHEMBL12970095 0.66 ABL1 (0.57) ABL1SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL16774479 0.65 LGALS3 (0.37) ABL1KMT2AMEN1LGALS3LGALS4
SCHEMBL20557379 0.65 HTT (0.38) KMT2ALGALS3LGALS4ALDH1A1KDM4E

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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