Bromide

Bromide

SCHEMBL9165679

Br.CCCCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3C=CSC3)cc2)c(Cl)c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 6/20 0.40
S1PR5 Q9H228 5/20 0.40
S1PR3 Q99500 4/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
NAMPT P43490 1/20 0.39
THRB P10828 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX2 P34913 1/20 0.38

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 SCHEMBL9165036 1.00 MAPT (0.41) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9161733 0.92 ACKR3 (0.41) MEN1KMT2ATHRBEPHX2
Bromide SCHEMBL9167424 0.89 MAPT (0.48) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9166558 0.89 MAPT (0.48) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9160800 0.87 ACHE (0.46) MAPTMEN1KMT2AGAAL3MBTL1
Bromide SCHEMBL9165294 0.87 ACHE (0.46) MAPTMEN1KMT2AGAAL3MBTL1
Bromide SCHEMBL9164088 0.87 BACE1 (0.42) MAPTMEN1KMT2ANAMPTTHRB
Bromide SCHEMBL9167236 0.86 CNR1 (0.42) MAPTMEN1KMT2ARECQLCNR1
Bromide SCHEMBL9169725 0.86 HTT (0.52) MAPTS1PR1S1PR5S1PR3L3MBTL1
Bromide SCHEMBL9165583 0.86 HTT (0.52) MAPTS1PR1S1PR5S1PR3L3MBTL1

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