Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL30165903

Br.CC1(C(=O)O[C@H]2O[C@@](C#N)(c3ccc4c(N)ncnn34)[C@H](O)[C@@H]2O)CCCCC1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ ACVRL1 P37023 1/20 0.30
▸ PIK3CD O00329 1/20 0.30

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
SCHEMBL30165917 0.99 TMPRSS2 (0.40) TMPRSS2ACVRL1PIK3CD
SCHEMBL30516180 0.98 TMPRSS2 (0.41) TMPRSS2PIK3CD
Sulfuric Acid SCHEMBL30165901 0.96 TMPRSS2 (0.39) TMPRSS2
Phosphoric Acid SCHEMBL30165932 0.96 TMPRSS2 (0.40) TMPRSS2
Sulfuric Acid SCHEMBL30165951 0.96 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31325796 0.95 TMPRSS2 (0.40) TMPRSS2PIK3CD
Maleic Acid SCHEMBL30165883 0.94 TMPRSS2 (0.38) TMPRSS2
SCHEMBL31239307 0.88 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31239301 0.88 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31239302 0.88 TMPRSS2 (0.39) TMPRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572298-B Crystal form, preparation method and application of nucleoside analogue and salt thereof 苏州旺山旺水生物医药股份有限公司 2024-11-08 — — CN disclosed
CN-115572298-A Crystal forms, preparation methods and applications of nucleoside analogue and salt thereof 苏州旺山旺水生物医药有限公司 2023-01-06 — — CN disclosed
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