Bromomethane

Bromomethane

SCHEMBL7086469

CBr.O=C(OCC(=CO)c1ccccc1)C(O)(c1cc(F)ccc1F)c1cc(F)ccc1F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
VNN1 O95497 1/20 0.31
KCNN4 O15554 1/20 0.31
HDAC1 Q13547 1/20 0.31
NR3C2 P08235 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NR3C1 P04150 1/20 0.30
GAA P10253 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
SCHEMBL14142578 0.97 MRGPRX4 (0.34) PDPK1MRGPRX4POLBNPSR1MAPT
Bromomethane SCHEMBL7085054 0.91 KCNN4 (0.38) PDPK1MRGPRX4POLBNPSR1MAPT
SCHEMBL7086739 0.87 KCNN4 (0.40) PDPK1MRGPRX4NPSR1MAPTSMN1; SMN2
Bromomethane SCHEMBL118164 0.84 CHRM2 (0.39) POLBSMN1; SMN2KCNN4NPC1RAB9A
Bromomethane SCHEMBL119398 0.83 KCNN4 (0.38) PDPK1POLBNPSR1MAPTVNN1
Bromomethane SCHEMBL7085436 0.83 PDPK1 (0.32) PDPK1MRGPRX4POLBNPSR1MAPT
Bromomethane SCHEMBL120034 0.83 KCNN4 (0.39) POLBMAPTSMN1; SMN2KCNN4NPC1
Bromomethane SCHEMBL7081897 0.83 CHRM2 (0.36) PDPK1POLBNPSR1MAPTSMN1; SMN2
Bromomethane SCHEMBL7085461 0.81 NPC1 (0.39) PDPK1POLBMAPTNPC1RAB9A
SCHEMBL931372 0.80 CHRM2 (0.39) PDPK1POLBSMN1; SMN2KCNN4NPC1

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