Bromide

Bromide

SCHEMBL9166558

Br.CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2ccc(CN3C=CSC3)cc2)cc1

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR1 P21453 6/20 0.47
S1PR5 Q9H228 5/20 0.47
S1PR3 Q99500 4/20 0.47
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
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.46
NAMPT P43490 1/20 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 SCHEMBL9167424 1.00 MAPT (0.48) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9166524 0.92 MEN1 (0.48) MEN1KMT2AS1PR1S1PR5S1PR3
Bromide SCHEMBL9163463 0.92 MEN1 (0.48) MEN1KMT2AS1PR1S1PR5S1PR3
Bromide SCHEMBL9167155 0.90 NLRP3 (0.46) MAPTMEN1KMT2ASMN1; SMN2KDM4E
Bromide SCHEMBL9170440 0.90 MEN1 (0.44) MEN1KMT2ACYP2D6EPHX2
Bromide SCHEMBL9171679 0.90 MEN1 (0.44) MEN1KMT2ACYP2D6EPHX2
Bromide SCHEMBL9165679 0.89 MAPT (0.41) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9165036 0.89 MAPT (0.41) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9169422 0.89 L3MBTL1 (0.56) MAPTMEN1KMT2AS1PR1S1PR5
Bromide SCHEMBL9167052 0.89 L3MBTL1 (0.56) MAPTMEN1KMT2AS1PR1S1PR5

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