Bromomethane

Bromomethane

SCHEMBL7088066

CBr.O=C(OCC(=CO)c1ccccc1)C(O)(c1ccccc1Cl)c1ccccc1Cl

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
SRC P12931 1/20 0.32
POLB P06746 3/20 0.32
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL7081055 0.96 L3MBTL1 (0.34) HTR2AHTR2CADRA1AOPRK1KCNH2
Bromomethane SCHEMBL7081929 0.83 KMT2A (0.44) ALDH1A1L3MBTL1MAPTPOLBCHRM3
Bromomethane SCHEMBL7085436 0.82 PDPK1 (0.32) MAPTSRCPOLBCHRM3CHRM2
Bromomethane SCHEMBL7084864 0.82 PDPK1 (0.39) ALDH1A1LMNAMAPTPOLBCHRM3
Bromomethane SCHEMBL7087263 0.80 SCN5A (0.37) ALDH1A1LMNAMAPTPOLBCHRM3
Bromomethane SCHEMBL7085461 0.80 NPC1 (0.39) ALDH1A1LMNAMAPTPOLBCHRM3
Bromomethane SCHEMBL7086475 0.80 PPARG (0.34) ALDH1A1MAPTPOLBCHRM3CHRM2
Bromomethane SCHEMBL7085054 0.79 KCNN4 (0.38) ALDH1A1MAPTPOLBKMT2ANPSR1
Bromomethane SCHEMBL7086469 0.79 PDPK1 (0.34) MAPTPOLBKMT2ANPSR1PDPK1
Bromomethane SCHEMBL7086772 0.79 NPC1 (0.41) ALDH1A1LMNAMAPTPOLBCHRM3

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