Bromomethane

Bromomethane

SCHEMBL7081929

CBr.O=C(OCC(=CO)c1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
CHRM3 P20309 4/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
POLB P06746 2/20 0.39
CHRM4 P08173 2/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7085988 0.96 MEN1 (0.43) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL7086772 0.89 NPC1 (0.41) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL118164 0.88 CHRM2 (0.39) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL7087263 0.87 SCN5A (0.37) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL7084864 0.87 PDPK1 (0.39) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL14142659 0.87 CES2 (0.41) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL7085461 0.87 NPC1 (0.39) KMT2AMEN1CHRM3CHRM2CHRM1
SCHEMBL7085430 0.86 NPC1 (0.43) KMT2AMEN1CHRM3CHRM2CHRM1
SCHEMBL7082002 0.86 HPGD (0.43) KMT2AMEN1CHRM3CHRM2CHRM1
Bromomethane SCHEMBL119398 0.85 KCNN4 (0.38) KMT2AMEN1CHRM3CHRM2CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed