SCHEMBL28426427

SCHEMBL28426427

Cc1ccccc1C(=O)O[C@@H]1SC(Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ MAPT P10636 5/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ POLB P06746 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ GAA P10253 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
SCHEMBL28425924 0.87 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28709000 0.85 NPC1 (0.39) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28420705 0.85 NPC1 (0.39) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL18298130 0.83 MET (0.34) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL28719560 0.82 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL18298145 0.81 FLT1 (0.36) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28424714 0.80 HTT (0.37) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28420796 0.80 LGALS3 (0.38) MAPTALDH1A1HPGD
SCHEMBL20141708 0.78 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL25400709 0.75 NPC1 (0.42) NPC1RAB9AMAPTLMNAL3MBTL1

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
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