Bromide

Bromide

SCHEMBL30645337

Br.CCCC1NCCc2cc(O)ccc21

nearest known ligand 0.54

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
ADRB2 known ✓ P07550 1/20 0.43
ADRB1 known ✓ P08588 1/20 0.43
ADRB3 known ✓ P13945 1/20 0.43
KDM1A O60341 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
BCHE P06276 1/20 0.46
SHBG P04278 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 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
Bromide SCHEMBL27191476 1.00 KDM1A (0.48) KDM1ADRD2DRD4BCHESHBG
SCHEMBL24528952 0.98 KDM1A (0.49) KDM1ADRD2DRD4BCHESHBG
SCHEMBL8514438 0.82 BCHE (0.44) KDM1ADRD2DRD4BCHEKDM4E
Bromide SCHEMBL9531808 0.81 KDM1A (0.47) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL8513919 0.80 BCHE (0.44) KDM1ADRD2DRD4BCHEKDM4E
Bromide SCHEMBL11619182 0.79 KDM1A (0.42) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL10837762 0.78 HTR2C (0.52) KDM1ACA1CA2CA7CA9
SCHEMBL10349438 0.77 DRD2 (0.62) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL1009943 0.76 PRCP (0.64) KDM4E
Bromide SCHEMBL21858250 0.76 MAOA (0.65) KDM1ADRD2DRD4KDM4ECA1

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-116897150-A Novel bifunctional molecules for protein-targeted degradation 安菲斯塔治疗有限公司 2023-10-17 CN disclosed