Bromide

SCHEMBL3961563

Br.Cc1n[nH]c(C)c1B(c1c(C)n[nH]c1C)c1c(C)n[nH]c1C.Cc1n[nH]c(C)c1B(c1c(C)n[nH]c1C)c1c(C)n[nH]c1C.Cc1n[nH]c(C)c1B(c1c(C)n[nH]c1C)c1c(C)n[nH]c1C.[Fe]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 APH1A APH1B CHRM2 CHRM3 EZH2 GRIN2A HTR1A HTR1B HTR1D HTR1F HTR3A NCSTN P2RY12 PSEN1 PSEN2 PSENEN SIGMAR1 SLC6A2 SLC6A3 SLC6A4

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 13)

	gene	UniProt	supporting neighbours	confidence
▸	DYRK1A	Q13627	1/20	0.46

▸	CHEK1	O14757	1/20	0.34

▸	AKT2	P31751	1/20	0.34

▸	PDE4D	Q08499	1/20	0.32

▸	KDM4E	B2RXH2	1/20	0.32

▸	MAPK1	P28482	1/20	0.32

▸	ADORA2A	P29274	2/20	0.31

▸	ADORA2B	P29275	2/20	0.31

▸	TSHR	P16473	1/20	0.31

▸	LMNA	P02545	2/20	0.31

▸	L3MBTL1	Q9Y468	1/20	0.31

▸	MEN1	O00255	1/20	0.30

▸	KMT2A	Q03164	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.

Compound	similarity	top predicted	shared targets
Bromide SCHEMBL713982	1.00	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL714361	0.95	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL716910	0.95	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL3957956	0.95	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL3959868	0.95	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
Bromide SCHEMBL715020	0.95	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
Bromide SCHEMBL716471	0.95	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL5873234	0.95	DYRK1A (0.50)	DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL7859645	0.90	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL819389	0.90	DYRK1A (0.46)	DYRK1ACHEK1AKT2PDE4DKDM4E

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2009038006-A1	RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF	SUMITOMO CHEMICAL COMPANY, LIMITED (JP)	2009-03-26	—	—	WO	disclosed
WO-2007023618-A1	HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF	SUMITOMO CHEMICAL COMPANY, LIMITED (JP)	2007-03-01	—	—	WO	disclosed