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Bromide

Bromide

SCHEMBL7057719

Cc1sc[n+](CC(=O)N2CC(C)OC(C)C2)c1C.Cc1sc[n+](CC(=O)N2CCCCC2)c1C.Cc1sc[n+](CC(=O)N2CCOCC2)c1C.[Br-].[Br-].[Br-]

nearest known ligand 0.40

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 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FKBP1A P62942 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MEN1 O00255 1/20 0.33

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 SCHEMBL3845046 0.89 ALDH1A1 (0.46) KMT2AALDH1A1HPGDCYP2C19HTT
SCHEMBL5069546 0.88 ALDH1A1 (0.47) KMT2AALDH1A1HPGDCYP2C19HTT
Bromide SCHEMBL3844632 0.85 KMT2A (0.47) LMNAKMT2AALDH1A1HPGDCYP2C19
SCHEMBL5071112 0.84 KMT2A (0.45) LMNAKMT2AALDH1A1HPGDCYP2C19
Bromide SCHEMBL3846115 0.83 LMNA (0.54) LMNAKMT2AALDH1A1HPGDL3MBTL1
Bromide SCHEMBL3845782 0.83 LMNA (0.54) LMNAKMT2AALDH1A1HPGDL3MBTL1
Bromide SCHEMBL3846555 0.83 LMNA (0.54) LMNAKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL5069524 0.82 LMNA (0.51) LMNAKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL5070436 0.82 LMNA (0.51) LMNAKMT2AALDH1A1HPGDL3MBTL1
Bromide SCHEMBL3843780 0.82 LMNA (0.51) LMNAKMT2AALDH1A1HPGDSMN1; SMN2

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