Bromide

Bromide

SCHEMBL6424405

CCCCCc1sc[n+](CC(=O)c2sc3ccccc3c2C)c1CCCCC.CCc1sc[n+](CC(=O)N2CCCC2)c1CC.O=C(C[n+]1ccsc1)N1CCN(c2ccccc2)CC1.[Br-].[Br-].[Br-]

nearest known ligand 0.33

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 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 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 SCHEMBL5992884 0.92
Bromide SCHEMBL3853944 0.77 CNR2 (0.42) MAPTCYP2C9CYP2C19
Bromide SCHEMBL6423648 0.71 MAPT (0.36) GAAMAPTCYP2C9CYP2C19SMN1; SMN2
Bromide SCHEMBL3844964 0.70 L3MBTL1 (0.43)
Bromide SCHEMBL3848580 0.70 L3MBTL1 (0.43)
Bromide SCHEMBL3854345 0.70 L3MBTL1 (0.43)
Bromide SCHEMBL7050342 0.70 NPC1 (0.32) SMN1; SMN2
Bromide SCHEMBL3846477 0.68 ALDH1A1 (0.55) GAAMAPTSMN1; SMN2
Bromide SCHEMBL5980166 0.68 ALDH1A1 (0.30) MAPT
Bromide SCHEMBL5979587 0.67 MAPT (0.35) GAAMAPTCYP2C9CYP2C19SMN1; 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-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO disclosed