Bromide

Bromide

SCHEMBL29669478

CCC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1.[Br-]

nearest known ligand 0.51

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
ACHE known ✓ P22303 1/20 0.41
DNM1 Q05193 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 4/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SRD5A2 P31213 3/20 0.43
ELANE P08246 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL14521789 0.98 DNM1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231675 0.92 ALDH1A1 (0.48) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL485968 0.90 ALDH1A1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16788930 0.89 DNM1 (0.59) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL11412610 0.88 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL20919878 0.88 DNM1 (0.58) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231434 0.88 DNM1 (0.59) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16731588 0.87 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL231806 0.86 DNM1 (0.43) DNM1SMN1; SMN2MEN1KMT2ATP53
Bromide SCHEMBL232863 0.86 DNM1 (0.43) DNM1SMN1; SMN2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112520756-B Method for preparing SAPO-17 molecular sieve 中国石油化工股份有限公司 2022-07-12 CN disclosed