Bromide

Bromide

SCHEMBL30479096

CCCCCCCCC(CCC[n+]1ccccc1)NC(=O)c1cccc2ccccc12.[Br-]

nearest known ligand 0.50

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
▸ CHRM2 known ✓ P08172 1/20 0.41
▸ CHRM4 known ✓ P08173 1/20 0.41
▸ CHRM5 known ✓ P08912 1/20 0.41
▸ CHRM1 known ✓ P11229 1/20 0.41
▸ CHRM3 known ✓ P20309 1/20 0.41
▸ ACHE known ✓ P22303 1/20 0.41
▸ CCKBR P32239 1/20 0.44
▸ CHAT P28329 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ TACR3 P29371 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ LCK P06239 1/20 0.41

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 SCHEMBL25341697 0.83 PRSS1 (0.50) KMT2AEGFRLMNAPLA2G1BERBB2
SCHEMBL11617237 0.82 PLK1 (0.48) CCKBRPLK1TACR3KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL25342080 0.75 KMT2A (0.54) KMT2AEGFRLMNAPLA2G1BERBB2
SCHEMBL5968377 0.73 CCKBR (0.49) CCKBRPLK1TACR3KMT2AL3MBTL1
SCHEMBL4313304 0.71 TACR3 (0.41) TACR3KMT2AL3MBTL1KDM4ECNR1
SCHEMBL165896 0.70 PRSS1 (0.61) CNR2TSHRALDH1A1
SCHEMBL15659861 0.69 CNR2 (0.55) KMT2AL3MBTL1KDM4ECNR1CNR2
SCHEMBL1286894 0.69 NAAA (0.67) PLK1CNR1CNR2TSHRHTT
SCHEMBL15658051 0.69 CNR2 (0.55) KMT2AL3MBTL1KDM4ECNR1CNR2
SCHEMBL15660791 0.69 CNR2 (0.55) KMT2AL3MBTL1KDM4ECNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150696-A2 COMPOSITIONS AND METHODS FOR DELIVERING HYDROPHOBIC BIOACTIVE AGENTS Perfect Day, Inc. (US) 2023-08-10 — — WO disclosed
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