Bromide

Bromide

SCHEMBL5077210

CCCCCCCCCCCCCCCCCCCCn1ccn(C)[c+]1C.[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 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 3/20 0.39
FAAH O00519 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
HTT P42858 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HSP90AA1 P07900 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TBXAS1 P24557 1/20 0.37
LMNA P02545 3/20 0.36
GALR3 O60755 2/20 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 SCHEMBL1330669 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Bromide SCHEMBL1330859 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Bromide SCHEMBL5077139 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Bromide SCHEMBL574667 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Bromide SCHEMBL707782 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Hydrochloric Acid SCHEMBL385262 0.96 TBXAS1 (0.41) PTGS1PTGS2MGLLFAAHNPC1
Iodide SCHEMBL11782794 0.96 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Hydrochloric Acid SCHEMBL2952423 0.96 TBXAS1 (0.41) PTGS1PTGS2MGLLFAAHNPC1
Iodide SCHEMBL580144 0.96 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHNPC1
Hydrochloric Acid SCHEMBL1977590 0.96 TBXAS1 (0.41) PTGS1PTGS2MGLLFAAHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697465-B1 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GEN ELECTRIC (US) 2008-02-13 EP disclosed
EP-1697465-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2006-09-06 EP disclosed
WO-2005061623-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2005-07-07 WO disclosed
US-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed