Bromide

Bromide

SCHEMBL7918168

Br.CCOC(=O)Cn1cc(Cl)ccc1=N

nearest known ligand 0.45

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
PPARG P37231 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
CXCR3 P49682 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40

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
SCHEMBL16867095 0.83 ALDH1A1 (0.48) PPARGTSHRALDH1A1KMT2AMAPT
Bromide SCHEMBL11028063 0.82 POLB (0.45) PPARGTSHRALDH1A1KMT2AMAPT
SCHEMBL7477852 0.82 TSHR (0.54) PPARGTSHRALDH1A1MAPK1KMT2A
SCHEMBL14821764 0.81 POLB (0.46) PPARGALDH1A1KMT2AMAPTMEN1
SCHEMBL22074459 0.79 POLB (0.47) PPARGALDH1A1KMT2AMAPTMEN1
SCHEMBL16870810 0.77 PPARG (0.48) PPARGALDH1A1KMT2AMAPTLMNA
Bromide SCHEMBL3576414 0.76 KDM4E (0.50) TSHRALDH1A1MAPTHSD17B10LMNA
SCHEMBL3576418 0.74 KDM4E (0.51) TSHRALDH1A1MAPTHSD17B10LMNA
SCHEMBL11160441 0.71 ALDH1A1 (0.47) PPARGTSHRALDH1A1MAPK1KMT2A
SCHEMBL3044303 0.70 LPAR1 (0.36) TSHRALDH1A1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214801-B1 INHIBITION OF DNA OR RNA VIRAL PROLIFERATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2001-04-10 US disclosed
WO-1997027205-A1 IMIDAZO[1,2-A]PYRIDINE C-NUCLEOSIDES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-07-31 WO disclosed