SCHEMBL22179130

SCHEMBL22179130

CC1(C)OC2C(O1)[C@@H](CO)O[C@H]2N1C=C(F)C(=O)NC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ CDA P32320 6/20 0.34
▸ MGAM O43451 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ SLC28A1 O00337 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ SLC28A3 Q9HAS3 1/20 0.32
▸ TYMP P19971 1/20 0.31

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
SCHEMBL23906501 0.87 ALDH1A1 (0.41) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL18573808 0.83 ALDH1A1 (0.38) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL23906506 0.79 ALDH1A1 (0.41) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL18573809 0.78 ALDH1A1 (0.33) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL18852507 0.73 ALDH1A1 (0.38) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL18573802 0.73 ALDH1A1 (0.38) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL23750588 0.71 ALDH1A1 (0.42) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL24737151 0.70 CDA (0.51) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL22460368 0.70 CDA (0.51) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13366846 0.70 LMNA (0.47) LMNA

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
EP-2900679-B1 5-FLUOROURIDINE DERIVATIVES BRAUN MELSUNGEN AG (DE) 2020-07-01 — — EP disclosed
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