Bromide

Bromide

SCHEMBL6545012

Br.CCOc1cc2c(nc1C(=O)NC)C(=N)N(CC(=O)c1cc(OS(C)(=O)=O)c(OC)cc1C(C)(C)C)C2

nearest known ligand 0.38

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 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.38
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 SCHEMBL1733312 0.88 F2R (0.47) F2RLMNAMAPTKDM4E
Bromide SCHEMBL5488280 0.87 F2R (0.46) F2RLMNAMAPTKDM4E
Bromide SCHEMBL1729038 0.87 F2R (0.39) F2RLMNAMAPTKDM4E
Bromide SCHEMBL6544406 0.86 F2R (0.39) F2RLMNAMAPTKDM4EKMT2A
SCHEMBL14449150 0.86 F2R (0.39) F2RLMNAMAPTKDM4E
Bromide SCHEMBL1731704 0.85 F2R (0.45) F2RLMNAHSD17B10
Bromide SCHEMBL5490605 0.82 F2R (0.43) F2R
Bromide SCHEMBL1730631 0.82 F2R (0.52) F2RLMNAMAPTKDM4E
Trifluoroacetic Acid SCHEMBL5483372 0.81 F2R (0.44) F2R
SCHEMBL14449076 0.80 F2R (0.44) F2RKMT2A

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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed