Bromide

Bromide

SCHEMBL29258015

Br.C=CC(=O)OCCCCCCCCCCCN(C)C

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 0.37
CHRM3 known ✓ P20309 1/20 0.37
TSHR P16473 7/20 0.68
ALDH1A1 P00352 5/20 0.68
CYP3A4 P08684 1/20 0.68
HPGD P15428 1/20 0.56
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
DNM1 Q05193 2/20 0.38
GAA P10253 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37

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
SCHEMBL499541 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL499274 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL108310 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL1255400 0.98 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11785615 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL499748 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10955287 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL110235 0.96 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL1255439 0.95 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
Iodide SCHEMBL1255015 0.95 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53

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-118104655-A Disinfectant based on virus blocking agent and application thereof 康码(上海)生物科技有限公司 2024-05-31 CN claimed
CN-118104655-A Disinfectant based on virus blocking agent and application thereof 康码(上海)生物科技有限公司 2024-05-31 CN disclosed