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Bromide

Bromide

SCHEMBL7050342

CCCCCCCCc1sc[n+](CC(=O)N2CCCCCC2)c1CCCCCCCC.Cc1c(CCCCCCO)sc[n+]1CC(=O)c1cccs1.O=C(C[n+]1ccsc1)N1CCSCC1.[Br-].[Br-].[Br-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 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
Bromide SCHEMBL5992884 0.81 — —
Bromide SCHEMBL5015370 0.76 KMT2A (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL3852034 0.75 OPRM1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL5980166 0.75 ALDH1A1 (0.30) RAB9A
Bromide SCHEMBL3848580 0.74 L3MBTL1 (0.43) L3MBTL1
Bromide SCHEMBL3844964 0.74 L3MBTL1 (0.43) L3MBTL1
Bromide SCHEMBL3854345 0.74 L3MBTL1 (0.43) L3MBTL1
Bromide SCHEMBL7058827 0.74 MAPT (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL6424405 0.70 GAA (0.33) SMN1; SMN2
Bromide SCHEMBL3846652 0.68 OPRM1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1128830-A4 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON INC (US) 2004-03-31 — — EP disclosed
EP-1128830-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS Alteon, Inc. (US) 2001-09-05 — — EP disclosed
WO-2000027395-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON, INC. (US) 2000-05-18 — — WO disclosed