Bromide

Bromide

SCHEMBL4337550

Br.CCC(CC)CCn1c(C#N)cn(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N

nearest known ligand 0.45

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 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.45
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL6366194 0.99 F2R (0.45) F2RALOX5PTGS1PTGS2KMT2A
Bromide SCHEMBL4340529 0.93 F2R (0.47) F2RALOX5PTGS1PTGS2KMT2A
SCHEMBL14346328 0.91 F2R (0.48) F2RALOX5PTGS1PTGS2KMT2A
Bromide SCHEMBL4342103 0.86 F2R (0.47) F2RALOX5PTGS1PTGS2KMT2A
SCHEMBL14346308 0.85 F2R (0.48) F2RALOX5PTGS1PTGS2KMT2A
SCHEMBL14369056 0.85 F2R (0.37) F2RALOX5PTGS1PTGS2KMT2A
Bromide SCHEMBL4337545 0.85 F2R (0.46) F2RALOX5PTGS1PTGS2KMT2A
SCHEMBL14346336 0.83 F2R (0.47) F2RALOX5PTGS1PTGS2KMT2A
Bromide SCHEMBL4338270 0.81 F2R (0.50) F2RKMT2AMEN1LMNARECQL
Bromide SCHEMBL4333493 0.81 F2R (0.46) F2RALOX5PTGS1PTGS2KMT2A

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-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed