Bromide

Bromide

SCHEMBL28624083

C=CC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Br-]

nearest known ligand 0.52

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 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.52
DNM1 Q05193 2/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ATM Q13315 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL13903978 0.99 TGM2 (0.53) TGM2DNM1KMT2AMEN1SMN1; SMN2
Water SCHEMBL9650629 0.97 TGM2 (0.52) TGM2DNM1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4995421 0.97 TGM2 (0.52) TGM2DNM1KMT2AMEN1SMN1; SMN2
Bromide SCHEMBL14637403 0.93 ZDHHC20 (0.45) TGM2DNM1KMT2AMEN1SMN1; SMN2
Acrylic Acid SCHEMBL28669293 0.92 TGM2 (0.48) TGM2DNM1KMT2AMEN1SMN1; SMN2
Sulfuric Acid SCHEMBL6472879 0.92 TGM2 (0.48) TGM2DNM1KMT2AMEN1SMN1; SMN2
SCHEMBL16319751 0.92 ZDHHC20 (0.46) TGM2DNM1KMT2AMEN1SMN1; SMN2
SCHEMBL17083922 0.90 TGM2 (0.49) TGM2DNM1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL28671813 0.89 TGM2 (0.48) TGM2DNM1KMT2AMEN1SMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL16108733 0.88 TGM2 (0.47) TGM2DNM1KMT2AMEN1SMN1; 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
CN-109070025-B Method and device for preparing aqueous polymer solution 巴斯夫欧洲公司 2022-06-07 CN disclosed
CN-113166050-A Method for producing organic tellurium compound and method for producing vinyl polymer 大塚化学株式会社 2021-07-23 CN disclosed