SCHEMBL28758982

SCHEMBL28758982

O=C(O[C@@H]1O[C@H](Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ CHRNA7 P36544 2/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NT5E P21589 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 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
SCHEMBL20141708 0.90 NPC1 (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12447824 0.86 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL10062003 0.84 LGALS9 (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL7796841 0.82 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL14305543 0.82 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL7788334 0.82 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL14586557 0.81 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL10005364 0.81 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL12139436 0.81 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7
SCHEMBL18510805 0.81 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRNA7

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
CN-114502174-A 2,4,7 substituted-7-deaza-2 '-deoxy-2' -fluoroarabinosucleosides and nucleotide prodrugs and use thereof 南方研究院 2022-05-13 — — CN disclosed
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