Bromide

Bromide

SCHEMBL30398337

Br.CCCNCC=C(C)C

nearest known ligand 0.41

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 8)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
FDFT1 P37268 2/20 0.33
GGPS1 O95749 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM1A O60341 5/20 0.31

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
Hydrochloric Acid SCHEMBL22575455 0.95 PAOX (0.35) PAOXADH1BADH1AADH7FDFT1
SCHEMBL12911823 0.83 TSHR (0.46) PAOXADH1BADH1AADH7KDM1A
Bromide SCHEMBL28414953 0.82 ALDH1A1 (0.48) ADH1BADH1AADH7KDM1A
Bromide SCHEMBL28882145 0.82 ALDH1A1 (0.48) ADH1BADH1AADH7KDM1A
Bromide SCHEMBL28486310 0.82 ALDH1A1 (0.48) ADH1BADH1AADH7KDM1A
Bromide SCHEMBL28529643 0.82 ALDH1A1 (0.48) ADH1BADH1AADH7KDM1A
Hydrochloric Acid SCHEMBL22575422 0.81 TSHR (0.44) PAOXADH1BADH1AADH7KDM1A
SCHEMBL12912298 0.81 TSHR (0.52) PAOXADH1BADH1AADH7KDM1A
SCHEMBL28336030 0.79 ALDH1A1 (0.50) ADH1BADH1AADH7KDM1A
Hydrochloric Acid SCHEMBL22575300 0.79 TSHR (0.50) ADH1BADH1AADH7KDM1A

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-116075573-A Sulfonated polymers 沙特阿拉伯石油公司 2023-05-05 CN disclosed