Bromide

Bromide

SCHEMBL9167422

CCCCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(C[n+]3ccsc3)cc2)cc1.[Br-]

nearest known ligand 0.51

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
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PDE4A P27815 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 4/20 0.45

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 SCHEMBL9166550 1.00 MAPT (0.49) MAPTGAAL3MBTL1SMN1; SMN2KDM4E
Bromide SCHEMBL9166508 0.92 GAA (0.48) MAPTGAAL3MBTL1FAAH
Bromide SCHEMBL9163453 0.92 GAA (0.48) MAPTGAAL3MBTL1FAAH
Bromide SCHEMBL9170429 0.90
Bromide SCHEMBL9167145 0.90 NLRP3 (0.48)
Bromide SCHEMBL9171671 0.90
Bromide SCHEMBL9169412 0.88 LMNA (0.52) MAPTSMN1; SMN2KDM4ELMNAHPGD
Bromide SCHEMBL9167047 0.88 LMNA (0.52) MAPTSMN1; SMN2KDM4ELMNAHPGD
Bromide SCHEMBL9165030 0.87 MAPT (0.42) MAPTGAAL3MBTL1
Bromide SCHEMBL9165670 0.87 MAPT (0.42) MAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed