Bromide

Bromide

SCHEMBL29192001

Br.CCCCn1cnc(C#N)c1

nearest known ligand 0.42

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
CPB2 Q96IY4 4/20 0.42
CPB1 P15086 2/20 0.42
CTSL P07711 3/20 0.33
GRK6 P43250 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 3/20 0.33
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
HTT P42858 3/20 0.32
GALR3 O60755 2/20 0.32
ATM Q13315 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32

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
Water SCHEMBL29192003 0.98 CPB2 (0.43) CPB2CPB1CTSLGRK6HSD17B10
SCHEMBL29192004 0.98 CPB2 (0.43) CPB2CPB1CTSLGRK6HSD17B10
SCHEMBL29113992 0.93 TBXAS1 (0.40) CPB2CPB1CTSLHSD17B10POLB
SCHEMBL23810847 0.81 CPB2 (0.40) CPB2CPB1POLBTBXAS1ALDH1A1
SCHEMBL26038699 0.81 CPB2 (0.37) CPB2CPB1CTSLKMT2AKDM4E
SCHEMBL24329784 0.80
SCHEMBL24128290 0.76 TBXAS1 (0.38) CPB2CPB1HSD17B10TBXAS1ALDH1A1
SCHEMBL26237382 0.74 MEN1 (0.35) TBXAS1KMT2A
Bromide SCHEMBL16738791 0.73 CPB2 (0.48) CPB2CPB1POLBTBXAS1ALDH1A1
SCHEMBL634200 0.72 CYP1A2 (0.45) CPB2CPB1POLBALDH1A1KMT2A

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-117583128-A Zinc combination inhibitor for lead-zinc separation and application thereof 西北矿冶研究院 2024-02-23 CN claimed
CN-117583128-A Zinc combination inhibitor for lead-zinc separation and application thereof 西北矿冶研究院 2024-02-23 CN disclosed