Bromide

Bromide

SCHEMBL3692255

Br.Br.Br.Br.Cc1cc(-c2cc(C)c(N=CCc3cccc(-c4ccccn4)n3)c(C)c2)cc(C)c1N=CCc1cccc(-c2ccccn2)n1.[Co].[Co]

nearest known ligand 0.40

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
KDM4E B2RXH2 4/20 0.40
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.37
PDE10A Q9Y233 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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 SCHEMBL3692550 0.98 KDM4E (0.40) KDM4ECCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL3698089 0.98 KDM4E (0.40) KDM4ECCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL3691622 0.95 KDM4E (0.40) KDM4ECCR1CCR5CCR8LMNA
Bromide SCHEMBL3163536 0.88 KDM4E (0.44) KDM4ECCR1CCR5CCR8LMNA
Bromide SCHEMBL3698944 0.85 KDM4E (0.37) KDM4ECCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL3167248 0.85 KDM4E (0.44) KDM4ECCR1CCR5CCR8LMNA
Bromide SCHEMBL3166431 0.85 KDM4E (0.44) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL3690177 0.85 KDM4E (0.46) KDM4ECCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL3687301 0.84 KDM4E (0.45) KDM4ECCR1CCR5CCR8LMNA
Bromide SCHEMBL3698848 0.83 BRD4 (0.39) KDM4EL3MBTL1NPC1BRD4CYP1A2

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
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
US-20080033125-A1 Transition Metal Compounds for Olefin Polymerization and Oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed