Bromide

Bromide

SCHEMBL28540808

Br.CCCC(N)c1nccn1C

nearest known ligand 0.41

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
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.36
LPO P22079 1/20 0.35
TLR8 Q9NR97 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28702194 0.88 TLR8 (0.41) L3MBTL1KDM4ECYP2D6LPOTLR8
SCHEMBL29137079 0.86 TLR8 (0.44) L3MBTL1KDM4ECYP2D6LPOTLR8
Glycine SCHEMBL31228162 0.86 SMN1; SMN2 (0.40) L3MBTL1KDM4ECYP2D6MAPTKMT2A
Bromide SCHEMBL28223816 0.85 L3MBTL1 (0.46) L3MBTL1KDM4ECYP2D6LPOTLR8
SCHEMBL27942970 0.83 L3MBTL1 (0.47) L3MBTL1KDM4ECYP2D6LPOTLR8
Hydrochloric Acid SCHEMBL25338117 0.81 L3MBTL1 (0.46) L3MBTL1KDM4ECYP2D6LPOTLR8
Water SCHEMBL31566367 0.81 L3MBTL1 (0.46) L3MBTL1KDM4ECYP2D6LPOTLR8
Hydrochloric Acid SCHEMBL27953560 0.81 L3MBTL1 (0.46) L3MBTL1KDM4ECYP2D6LPOTLR8
Bromide SCHEMBL31511741 0.80 L3MBTL1 (0.45) L3MBTL1KDM4ECYP2D6LPOTLR8
SCHEMBL28577467 0.80 MAPT (0.42) TLR8MAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552648-B Three-dimensional ordered controllable carbon fiber heat-conducting composite material and preparation method thereof 安徽大学 2022-05-10 CN claimed
CN-109370569-B Preparation method of carbon-containing quantum dot white light emitting room temperature ionic liquid 山东大学 2021-05-11 CN claimed
CN-112552648-A Three-dimensional ordered controllable carbon fiber heat-conducting composite material and preparation method thereof 安徽大学 2021-03-26 CN claimed
CN-112552648-B Three-dimensional ordered controllable carbon fiber heat-conducting composite material and preparation method thereof 安徽大学 2022-05-10 CN disclosed
CN-109370569-B Preparation method of carbon-containing quantum dot white light emitting room temperature ionic liquid 山东大学 2021-05-11 CN disclosed
CN-112552648-A Three-dimensional ordered controllable carbon fiber heat-conducting composite material and preparation method thereof 安徽大学 2021-03-26 CN disclosed