Bromoethane

Bromoethane

SCHEMBL2652759

CCBr.CCC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.[MgH2]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.48
RXRG P48443 8/20 0.48
RXRB P28702 7/20 0.48
PTPN1 P18031 1/20 0.46
GSK3B P49841 1/20 0.46
PIK3CA P42336 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KIF11 P52732 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL2269018 0.94 RXRA (0.53) RXRARXRGRXRBPIK3CAPSEN1
SCHEMBL4657783 0.89 PIK3CA (0.50) RXRARXRGRXRBPTPN1GSK3B
SCHEMBL17634087 0.79 GSK3B (0.56) RXRARXRGRXRBPTPN1GSK3B
SCHEMBL4305804 0.78 PIK3CA (0.56) RXRARXRGRXRBPTPN1GSK3B
SCHEMBL2652603 0.77 RXRA (0.56) RXRARXRGRXRBPIK3CAPSEN1
SCHEMBL30628135 0.76 PIK3CA (0.47) RXRARXRGRXRBPIK3CAPSEN1
SCHEMBL2272003 0.75 RXRA (0.77) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL11137241 0.75 PTPN1 (0.57) PTPN1GSK3BKIF11HDAC1HDAC8
SCHEMBL8425193 0.74 BACE1 (0.54) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2269889 0.74 MAPT (0.61) RXRARXRGRXRBPTPN1GSK3B

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed