Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL7054583

CCCCCCCCCCCCCCCCCCc1sc[n+](CC(=O)N2CCOCC2)c1CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCc1sc[n+](CC(=O)N2CCCCC2)c1CCCCCCCCCCCC.CCCCCc1sc[n+](CC(=O)N2CC(C)OC(C)C2)c1CCCCC.[Br-].[Br-].[Br-]

nearest known ligand 0.39

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 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MLYCD O95822 2/20 0.30
▸ FKBP1A P62942 1/20 0.30
▸ PKM P14618 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
Bromide SCHEMBL5981811 0.96 KMT2A (0.36) KMT2AMEN1ALDH1A1HPGDHTT
Bromide SCHEMBL3854419 0.88 THRA (0.38) KMT2AMEN1L3MBTL1ALDH1A1HPGD
Bromide SCHEMBL3854345 0.86 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1TDP1LMNA
Bromide SCHEMBL3848580 0.86 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1TDP1LMNA
Bromide SCHEMBL3844964 0.86 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1TDP1LMNA
Bromide SCHEMBL7057719 0.78 LMNA (0.40) KMT2AMEN1L3MBTL1ALDH1A1HPGD
Bromide SCHEMBL5981814 0.71 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDLMNA
Bromide SCHEMBL7052826 0.70 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1HPGDLMNA
Bromide SCHEMBL3847620 0.67 LMNA (0.45) KMT2AMEN1L3MBTL1TDP1ALDH1A1
Bromide SCHEMBL3845046 0.67 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HPGDHTT

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