Bromide

Bromide

SCHEMBL28620601

NC(Cc1ccccn1)(Cc1ccccn1)C(N)(Cc1ccccn1)Cc1ccccn1.[Br-].[Cu+]

nearest known ligand 0.53

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
FDPS P14324 1/20 0.53
HRH1 P35367 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL231091 0.96 FDPS (0.56) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL31312939 0.83 HRH1 (0.54) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1971651 0.82 HRH1 (0.46) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5556933 0.80 HRH1 (0.47) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28265938 0.79 HRH1 (0.50) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7003387 0.79 HRH1 (0.50) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3902944 0.79 HRH1 (0.50) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7123795 0.79 HRH1 (0.55) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4262034 0.78 HRH1 (0.48) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1462070 0.78 HRH1 (0.53) FDPSHRH1SMN1; SMN2L3MBTL1ALDH1A1

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
CN-109942220-B Preparation method of salt-resistant amphoteric polycarboxylic acid high-performance water reducing agent 北京工业大学 2021-07-23 CN claimed
CN-109942220-B Preparation method of salt-resistant amphoteric polycarboxylic acid high-performance water reducing agent 北京工业大学 2021-07-23 CN disclosed