Bromide

Bromide

SCHEMBL7063716

C1=C(c2ccco2)C([Zr+2]C2C(c3ccco3)=Cc3ccccc32)c2ccccc21.[Br-].[Br-]

nearest known ligand 0.35

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
CHRM2 known ✓ P08172 1/20 0.35
CHRM4 known ✓ P08173 1/20 0.35
CHRM5 known ✓ P08912 1/20 0.35
CHRM1 known ✓ P11229 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
POLB P06746 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
PTPN7 P35236 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33

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
Hydrochloric Acid SCHEMBL3671702 0.97 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27709589 0.79 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL7059572 0.79 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL7064951 0.79 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7752225 0.78 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7752497 0.77 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7730940 0.77 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7064757 0.75 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7061669 0.75 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7178895 0.75 TDP1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635733-B2 Coordination catalyst; radiation transparent, elasticity CHISSO CORPORATION (JP) 2003-10-21 US disclosed
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed
US-20020002261-A1 Elastomeric polypropylene JNC PETROCHEMICAL CORPORATION (JP) 2002-01-03 US disclosed
US-20010031834-A1 Using coordination catalyst; flexibility, elasticity; molding materials CHISSO CORPORATION 2001-10-18 US disclosed