Bromide

Bromide

SCHEMBL7142995

C[N+](C)(CCO)C1CCN(c2ccc(N)cc2)C1.[Br-]

nearest known ligand 0.38

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
MAPT P10636 5/20 0.38
GFER P55789 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2C P18825 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
CASP6 P55212 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2266259 0.99 MAPT (0.39) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL3059729 0.97 MAPT (0.38) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6401036 0.97 MAPT (0.38) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL2535918 0.97 MAPT (0.38) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL2537925 0.97 MAPT (0.38) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6405830 0.96 MAPT (0.37) MAPTGFERKDM4EGAASMN1; SMN2
Bromide SCHEMBL2538000 0.88 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2929917 0.87 MAPT (0.41) MAPTGFERKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5246554 0.87 ESRRG (0.32) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2929100 0.86 MAPT (0.40) MAPTGFERKDM4EGAASMN1; SMN2

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-6521761-B2 For coloring hair CLAIROL INCORPORATED 2003-02-18 US disclosed
US-6461391-B1 Primary intermediates for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-08 US disclosed