Bromide

Bromide

SCHEMBL1205091

C[N+](C)(CCC[N+](C)(CC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1)Cc1ccc(C(=O)c2ccccc2)cc1)Cc1ccc(C(=O)c2ccccc2)cc1.[Br-].[Br-].[Br-]

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.38
DNM1 Q05193 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 4/20 0.41
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 2/20 0.38
SRD5A2 P31213 3/20 0.38
BCHE P06276 1/20 0.38
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36

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 SCHEMBL231806 0.94 DNM1 (0.43) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL232863 0.94 DNM1 (0.43) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL321584 0.93 ALDH1A1 (0.44) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL487054 0.93 ALDH1A1 (0.44) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16731588 0.90 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL6055899 0.89 DNM1 (0.41) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231675 0.89 ALDH1A1 (0.48) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231434 0.87 DNM1 (0.59) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL485968 0.87 ALDH1A1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL320399 0.86 DNM1 (0.58) DNM1SMN1; SMN2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318263-B2 Method for coating an object with a graft polymer layer SURMODICS, INC. (US) 2012-11-27 US disclosed
US-20110104392-A1 GRAFTING APPARATUS AND METHOD OF USING SURMODICS, INC. (US) 2011-05-05 US disclosed
US-7883749-B2 placing an object into a container, filling the container with a 1st solution of nonpolymeric grafting initiator, irradiating, removing the solution from the container, filling the container with a 2ns solution of polymerizable monomer or macromer, bubbling gas through the solution, irradiating; curable SURMODICS, INC. (US) 2011-02-08 US disclosed
US-20090176030-A1 METHOD FOR COATING AN OBJECT WITH A GRAFT POLYMER LAYER SURMODICS, INC. 2009-07-09 US disclosed
EP-1594623-B1 GRAFTING APPARTUS AND METHOD OF USING SURMODICS INC (US) 2007-04-11 EP disclosed
US-7041174-B2 Grafting apparatus and method of using SUNMODICS,INC. (US) 2006-05-09 US disclosed
EP-1594623-A1 GRAFTING APPARTUS AND METHOD OF USING SurModics, Inc. (US) 2005-11-16 EP disclosed
WO-2004073885-A1 GRAFTING APPARTUS AND METHOD OF USING SURMODICS, INC. (US) 2004-09-02 WO disclosed
US-20040161547-A1 Grafting apparatus and method of using SURMODICS, INC. 2004-08-19 US disclosed