Bromide

Bromide

SCHEMBL7469463

O=C(O)C[n+]1cccc(NC(=O)Cn2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)c1.[Br-]

nearest known ligand 0.39

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
MAPT P10636 8/20 0.39
TP53 P04637 4/20 0.39
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARG Q86W56 1/20 0.36
POLB P06746 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
Iodide SCHEMBL4455368 0.89 MAPT (0.40) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL7563746 0.87 MAPT (0.49) MAPTTP53THRBKDM4EALDH1A1
Iodide SCHEMBL7469549 0.87 MAPT (0.41) MAPTTP53THRBKDM4EALDH1A1
Iodide SCHEMBL7462209 0.86 MAPT (0.41) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL7472833 0.84 MAPT (0.48) MAPTTP53THRBALDH1A1MEN1
Iodide SCHEMBL7467987 0.83 RXFP1 (0.45) MAPTTP53THRBALDH1A1LMNA
SCHEMBL7460699 0.82 NLRP3 (0.45) MAPTTP53THRBKDM4EALDH1A1
Iodide SCHEMBL7468583 0.81 MAPT (0.43) MAPTTP53THRBALDH1A1MEN1
SCHEMBL7468006 0.81 MAPT (0.46) MAPTTP53ALDH1A1MEN1LMNA
SCHEMBL7468043 0.80 MAPT (0.48) MAPTTP53THRBKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224945-A1 TENSION-RELIEVING AGENTS FOR CILIARY MUSCLE Senju Pharmaceutical Co., Ltd. (JP) 2002-07-24 EP disclosed
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed