SCHEMBL16774479

SCHEMBL16774479

Cc1cc(Cl)ccc1C(=O)O[C@@H]1SC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ FLT1 P17948 2/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL18298145 0.88 FLT1 (0.36) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL28426565 0.87 LGALS3 (0.34) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL28428520 0.86 LGALS3 (0.36) LGALS3LGALS4MAPTRAB9ANPC1
SCHEMBL28428818 0.83 LGALS3 (0.40) LGALS3LGALS4CYP2C19LMNAMAPT
SCHEMBL18298125 0.83 HTT (0.38) CYP2D6CYP2C19MAPTRAB9ANPC1
SCHEMBL28425924 0.81 NPC1 (0.40) LGALS3LMNAMAPTRAB9ANPC1
SCHEMBL28426453 0.80 KMT2A (0.38) CYP2C19LMNAMAPTRAB9ANPC1
SCHEMBL16774751 0.78 LGALS3 (0.42) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL16774478 0.76 ABL1 (0.40) LGALS3LGALS4FLT1FLT4KDR
SCHEMBL28895128 0.75 LGALS3 (0.38) LGALS3LGALS4MAPTRAB9ANPC1

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
Send feedback