Bromide

Bromide

SCHEMBL10582074

Br.COc1ccc(/C=C/c2ccc3c(=O)n(CCN(C(C)C)C(C)C)ncc3c2)cc1

nearest known ligand 0.39

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
▸ ACHE known ✓ P22303 1/20 0.38
▸ CNR2 P34972 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ NPBWR1 P48145 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ AHR P35869 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ CYP19A1 P11511 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
Bromide SCHEMBL10582081 1.00 CNR2 (0.39) CNR2BCHEACHEEGFRPDGFRB
Bromide SCHEMBL10582253 0.89 KAT2B (0.41) EGFRPDGFRBPDGFRANPBWR1ROCK2
Bromide SCHEMBL10582244 0.89 KAT2B (0.41) EGFRPDGFRBPDGFRANPBWR1ROCK2
SCHEMBL10581084 0.88 KAT2B (0.42) EGFRPDGFRBPDGFRANPBWR1ROCK2
SCHEMBL10581087 0.88 KAT2B (0.42) EGFRPDGFRBPDGFRANPBWR1ROCK2
Bromide SCHEMBL10668066 0.85 CNR2 (0.44) CNR2BCHEACHEPDGFRBPDGFRA
Bromide SCHEMBL10581715 0.85 FLT3 (0.42) EGFRPDGFRBPDGFRANPBWR1ROCK2
Bromide SCHEMBL10581709 0.85 FLT3 (0.42) EGFRPDGFRBPDGFRANPBWR1ROCK2
Bromide SCHEMBL10583382 0.84 MAOA (0.43) EGFRPDGFRBPDGFRANPBWR1ROCK2
Bromide SCHEMBL10583385 0.84 MAOA (0.43) EGFRPDGFRBPDGFRANPBWR1ROCK2

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
EP-0309765-A2 1(2H)-Phthalazinones as cytoprotective agents FISONS CORPORATION (US) 1989-04-05 — — EP disclosed
US-4769369-A Anti-allergy 1(2H)-phthalazinones PENNWALT CORPORATION (US) 1988-09-06 — — US disclosed
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