SCHEMBL28428520

SCHEMBL28428520

Cc1ccc(C(=O)O[C@@H]2[C@H](OC(=O)c3ccc(C)cc3C)SC(O)[C@H]2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 5/20 0.36
▸ LGALS4 P56470 4/20 0.36
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ MET P08581 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL28895128 0.89 LGALS3 (0.38) LGALS3LGALS4LGALS9LGALS1MET
SCHEMBL18298130 0.87 MET (0.34) LGALS3LGALS4LGALS9LGALS1MET
SCHEMBL28423026 0.86 MET (0.36) LGALS3LGALS4LGALS9LGALS1MET
SCHEMBL16774479 0.86 LGALS3 (0.37) LGALS3LGALS4MAPTMEN1KMT2A
SCHEMBL18298125 0.85 HTT (0.38) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL28428818 0.85 LGALS3 (0.40) LGALS3LGALS4GAAMAPTRAB9A
SCHEMBL28425924 0.82 NPC1 (0.40) LGALS3LGALS9LGALS1POLBGAA
SCHEMBL28422999 0.82 MET (0.37) LGALS3LGALS4LGALS9LGALS1MET
SCHEMBL28422992 0.81 MEN1 (0.33) MEN1KMT2ACYP1A2
SCHEMBL28423018 0.77 LGALS3 (0.42) LGALS3LGALS4LGALS9LGALS1SCN1A

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-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN disclosed
Send feedback