Bromide

Bromide

SCHEMBL30940372

Br.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCNCC3)c12

nearest known ligand 0.74

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 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C8 P10632 1/20 0.74
CYP2B6 P20813 1/20 0.74
CYP2C19 P33261 1/20 0.74
KCNH2 Q12809 1/20 0.74
LRRK2 Q5S007 1/20 0.31
ACVR1 Q04771 3/20 0.31
TGFBR1 P36897 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
REN P00797 1/20 0.31
CNR2 P34972 1/20 0.31
CFTR P13569 2/20 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
SCHEMBL9914944 0.99 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL15164805 0.90 CYP3A4 (0.78) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL15164819 0.90 CYP3A4 (0.78) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL16440228 0.89 CYP3A4 (0.77) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914888 0.88 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914890 0.88 CYP2D6 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914945 0.86 CYP3A4 (0.72) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL14754253 0.86 CYP3A4 (0.67) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL13464991 0.85 CYP2C19 (0.88) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914891 0.85 CYP3A4 (0.71) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8

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
WO-2024137495-A9 FOSTEMSAVIR INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF NAVINTA, LLC (US) 2024-07-25 WO disclosed
WO-2024137495-A1 FOSTEMSAVIR INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF NAVINTA, LLC (US) 2024-06-27 WO disclosed