Bromide

Bromide

SCHEMBL30997587

Br.Br.Br.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO

nearest known ligand 0.88

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 8)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.87
▸ CHAT P28329 2/20 0.83
▸ EP300 Q09472 3/20 0.82
▸ KAT5 Q92993 2/20 0.82
▸ AURKA O14965 2/20 0.82
▸ KAT2B Q92831 1/20 0.82
▸ CREBBP Q92793 1/20 0.73
▸ NAA40 Q86UY6 1/20 0.72

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
SCHEMBL18327204 0.99 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL14878909 0.99 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL16983021 0.99 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL60498 0.99 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL18614737 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL18925864 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL19554420 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59555 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL2933622 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL28077759 0.96 NAA50 (0.84) NAA50CHATEP300KAT5AURKA

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-2024155699-A1 ANAEROBIC BIOPRODUCTION OF COMPOUNDS BLUESTEM BIOSCIENCES, INC. (US) 2024-07-25 — — WO disclosed
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