Bromide

Bromide

SCHEMBL9167052

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

nearest known ligand 0.58

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
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 7/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
STAT3 P40763 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HIF1A Q16665 1/20 0.49
NPC1 O15118 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
MCL1 Q07820 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48

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 SCHEMBL9169422 1.00 L3MBTL1 (0.56) L3MBTL1MAPTTSHRHSD17B10HPGD
Bromide SCHEMBL9166697 0.89 NR1H4 (0.55) MAPTTSHRLMNAALDH1A1NPC1
Bromide SCHEMBL9165002 0.89 THRB (0.53) MAPTTSHRHSD17B10SMN1; SMN2LMNA
Bromide SCHEMBL9166719 0.89 MEN1 (0.51) MAPTTSHRSMN1; SMN2LMNANPC1
Bromide SCHEMBL9167392 0.89 NR1H4 (0.55) MAPTTSHRLMNAALDH1A1NPC1
Bromide SCHEMBL9167271 0.89 NR1H4 (0.57) MAPTSMN1; SMN2LMNASTAT3NR1H4
Bromide SCHEMBL9166558 0.89 MAPT (0.48) L3MBTL1MAPTHPGDSMN1; SMN2LMNA
Bromide SCHEMBL9163463 0.89 MEN1 (0.48) L3MBTL1MEN1KMT2AS1PR1S1PR3
Bromide SCHEMBL9166524 0.89 MEN1 (0.48) L3MBTL1MEN1KMT2AS1PR1S1PR3
Bromide SCHEMBL9167424 0.89 MAPT (0.48) L3MBTL1MAPTHPGDSMN1; SMN2LMNA

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