Benzyl Bromide

Benzyl Bromide

SCHEMBL5708182

BrCc1ccccc1.Oc1ccccc1OCc1cccc(F)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 9/20 0.49
NR4A2 P43354 2/20 0.47
APP P05067 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44

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
SCHEMBL3917345 0.91 LMNA (0.57) LMNAL3MBTL1MAOBNR4A2APP
Benzyl Bromide SCHEMBL6219860 0.83 APP (0.47) LMNAL3MBTL1MAOBAPPMAPT
Benzyl Bromide SCHEMBL5708213 0.77 APP (0.47) LMNAMAOBAPPMAPTMRGPRX4
SCHEMBL23582516 0.77 APP (0.51) LMNAL3MBTL1MAOBAPPMAPT
SCHEMBL2775028 0.77 MAOB (0.52) LMNAL3MBTL1MAOBAPPMAPT
SCHEMBL2284651 0.77 CYP1A2 (0.64) MAOBCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL3929012 0.77 CYP1A2 (0.61) MAOBCYP1A2CYP3A4CYP2D6MAPT
Benzyl Bromide SCHEMBL5708224 0.77 GAA (0.47) LMNAL3MBTL1MAOBAPPMAPT
SCHEMBL130119 0.77 APP (0.72) LMNAL3MBTL1APPCYP1A2MAPT
SCHEMBL4228330 0.76 MAOB (0.73) MAOBNR4A2MAOA

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-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed