Bromide

Bromide

SCHEMBL4353467

Br.CCC(CC)C(F)Cn1ccn(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 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.44
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL6362491 0.99 F2R (0.45) F2RLMNARECQLALOX5PTGS1
Bromide SCHEMBL4349342 0.88 F2R (0.45) F2RLMNARECQLALOX5PTGS1
SCHEMBL14346277 0.87 F2R (0.46) F2RLMNARECQLALOX5PTGS1
Bromide SCHEMBL4333536 0.87 F2R (0.47) F2RLMNARECQLALOX5PTGS1
SCHEMBL14346263 0.85 F2R (0.48) F2RLMNARECQLALOX5PTGS1
SCHEMBL14369072 0.83 F2R (0.37) F2RLMNARECQLALOX5PTGS1
Bromide SCHEMBL4342348 0.82 F2R (0.47) F2RLMNARECQLALOX5PTGS1
SCHEMBL14346286 0.81 F2R (0.48) F2RLMNARECQLALOX5PTGS1
Bromide SCHEMBL4336048 0.81 F2R (0.48) F2RLMNARECQLALOX5PTGS1
SCHEMBL6365993 0.79 F2R (0.49) F2RLMNARECQLALOX5PTGS1

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