Bromide

Bromide

SCHEMBL9169344

CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(Cn3ccs[c+]3C)cc2)cc1.[Br-]

nearest known ligand 0.48

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
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 4/20 0.44
S1PR5 Q9H228 4/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
FAAH O00519 6/20 0.43

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 SCHEMBL9164015 0.92 GAA (0.47) MAPTGAAL3MBTL1MEN1KMT2A
Bromide SCHEMBL9168418 0.90 NLRP3 (0.46) MAPTSMN1; SMN2KDM4ECYP1A2CYP2D6
Bromide SCHEMBL9166135 0.89 MAPT (0.41) MAPTGAAL3MBTL1MEN1KMT2A
Bromide SCHEMBL9163205 0.89 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2KDM4EHIF1A
Bromide SCHEMBL9160357 0.86 MEN1 (0.42) MAPTSMN1; SMN2MEN1KMT2AS1PR1
Bromide SCHEMBL9167614 0.86 SMN1; SMN2 (0.40) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL9168075 0.86 EPHX2 (0.48) MAPTSMN1; SMN2KDM4EMEN1KMT2A
Bromide SCHEMBL9162242 0.86 S1PR1 (0.42) MAPTS1PR1S1PR3S1PR5FAAH
Bromide SCHEMBL9165834 0.86 EPHX2 (0.48) MAPTSMN1; SMN2KDM4EMEN1KMT2A
Bromide SCHEMBL9169040 0.85 KDM4E (0.43) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A

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