Bromide

Bromide

SCHEMBL3883473

Cc1cccc[n+]1CC(=O)c1cccc(F)c1.[Br-]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
THRB P10828 1/20 0.58
KMT2A Q03164 6/20 0.58
KDM4E B2RXH2 7/20 0.46
MAPT P10636 4/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 4/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
KCNH2 Q12809 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL4894700 0.99 THRB (0.56) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL3891677 0.86 THRB (0.61) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL3884195 0.84 KMT2A (0.70) THRBKMT2AKDM4ETDP1MEN1
Bromide SCHEMBL1645919 0.84 KMT2A (0.73) THRBKMT2AKDM4EGLAMEN1
Bromide SCHEMBL3896616 0.83 THRB (0.58) THRBKMT2AKDM4EMAPTGLA
SCHEMBL4896174 0.82 KMT2A (0.68) THRBKMT2AKDM4EMEN1NPC1
SCHEMBL13394254 0.82 KMT2A (0.70) THRBKMT2AKDM4EGLAMEN1
SCHEMBL4890283 0.82 THRB (0.56) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL3885368 0.80 THRB (0.55) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL3883793 0.80 KMT2A (0.50) THRBKMT2AKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed