Bromide

Bromide

SCHEMBL29601855

Br.Cc1sc(Nc2cc(C(=O)O)ccn2)nc1-c1ccccn1

nearest known ligand 0.49

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
KDM4A O75164 3/20 0.49
KDM5C P41229 3/20 0.49
KDM4E B2RXH2 3/20 0.49
KDM6B O15054 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPK10 P53779 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GRM4 Q14833 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
KCNN1 Q92952 1/20 0.45
KCNN2 Q9H2S1 1/20 0.45
KCNN3 Q9UGI6 1/20 0.45
KDM4B O94953 2/20 0.42
KDM5B Q9UGL1 2/20 0.42

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 SCHEMBL27039758 1.00 KDM4A (0.49) KDM4AKDM5CKDM4EKDM6BKDM4C
SCHEMBL29078755 0.83 KCNN1 (0.42) KDM4AKDM5CKDM4ESLC2A1ALDH1A1
SCHEMBL24358148 0.83 KCNN1 (0.64) KDM4ESLC2A1GRM4KCNN1KCNN2
SCHEMBL24358064 0.82 GABRA5 (0.45) SLC2A1ALDH1A1LMNAMAPK10RXFP1
SCHEMBL29601482 0.82 GABRA5 (0.45) SLC2A1ALDH1A1LMNAMAPK10RXFP1
SCHEMBL30745793 0.81 GRM4 (0.63) KDM4ESLC2A1ALDH1A1LMNAMAPK10
SCHEMBL5174932 0.81 GRM4 (0.63) KDM4ESLC2A1ALDH1A1LMNAMAPK10
Bromide SCHEMBL29601604 0.79 CSNK2A2 (0.71) KDM4AKDM5CKDM4EKDM6BKDM4C
SCHEMBL24358103 0.78 GRM4 (0.47) KDM4ESLC2A1GRM4KCNN1KCNN2
SCHEMBL30745728 0.78 GRM4 (0.47) KDM4ESLC2A1GRM4KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed