Bromide

Bromide

SCHEMBL20743441

Br.COC(=O)[C@H](N)CC[n+]1ccc(-c2ncccn2)cn1

nearest known ligand 0.34

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
LTA4H P09960 3/20 0.34
SYK P43405 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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 SCHEMBL20743442 0.99 LTA4H (0.33) LTA4HSYKKDM4EMEN1MAPT
SCHEMBL24418527 0.99 LTA4H (0.34) LTA4HSYKKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL20743549 0.97 LTA4H (0.33) LTA4HSYKKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL20743551 0.97 LTA4H (0.33) LTA4HSYKKDM4EMEN1MAPT
Trifluoroacetic Acid SCHEMBL20743545 0.87 DPP4 (0.34) LTA4H
SCHEMBL20753844 0.84 KIF11 (0.35)
SCHEMBL22345226 0.84 KIF11 (0.35)
SCHEMBL22345227 0.84 KIF11 (0.35)
Trifluoroacetic Acid SCHEMBL22345229 0.83 DPP4 (0.32) LTA4H
Trifluoroacetic Acid SCHEMBL20743546 0.83 DPP4 (0.32) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3923727-A1 PRE-HARVEST DESICCATION METHOD Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
EP-3923723-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
EP-3923725-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
EP-3923722-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
EP-3923724-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
EP-3923726-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
WO-2020164922-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164923-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164924-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164925-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164920-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
EP-3668855-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-06-24 EP disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 WO disclosed