Bromomethane

Bromomethane

SCHEMBL7087263

CBr.O=C(OCC(=CO)c1ccccc1)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CHRM4 P08173 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KIF11 P52732 1/20 0.36
MAPT P10636 2/20 0.35
VNN1 O95497 2/20 0.35
LMNA P02545 1/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
MAOB P27338 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
SCHEMBL6554256 0.96 ERCC5 (0.38) SCN5ASCN9ACHRM3CHRM2CHRM1
Bromomethane SCHEMBL7081929 0.87 KMT2A (0.44) CHRM3CHRM2CHRM1KMT2AMEN1
Bromomethane SCHEMBL120034 0.86 KCNN4 (0.39) CHRM3CHRM2CHRM1KMT2AMEN1
Bromomethane SCHEMBL7084864 0.86 PDPK1 (0.39) CHRM3CHRM2CHRM1KMT2AMEN1
Bromomethane SCHEMBL14142455 0.86 LMNA (0.42) CHRM3KMT2AMEN1POLBALDH1A1
Bromomethane SCHEMBL7085461 0.86 NPC1 (0.39) CHRM3CHRM2CHRM1KMT2AMEN1
Bromomethane SCHEMBL119398 0.84 KCNN4 (0.38) CHRM3CHRM2CHRM1KMT2AMEN1
Bromomethane SCHEMBL7086475 0.84 PPARG (0.34) CHRM3CHRM2CHRM1KMT2AMEN1
SCHEMBL7085988 0.83 MEN1 (0.43) CHRM3CHRM2CHRM1KMT2AMEN1
SCHEMBL3911903 0.82 KCNN4 (0.41) CHRM3CHRM2CHRM1KMT2AMEN1

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