SCHEMBL8994969

SCHEMBL8994969

CCOC(=N)c1ccc(OCCCCCBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.51
F2 P00734 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
PLAU P00749 1/20 0.51
PRMT5 O14744 1/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
TMPRSS2 O15393 1/20 0.51
PTP4A3 O75365 1/20 0.51
SLC22A3 O75751 1/20 0.51
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51
S100B P04271 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
AOC1 P19801 1/20 0.51
MAOA P21397 1/20 0.51

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
SCHEMBL20333167 0.89 PRMT1 (0.53) PRMT1F2ST14PLAUPRMT5
SCHEMBL7213360 0.89 TP53 (0.59) PRMT1F2ST14PLAUPRMT5
SCHEMBL3743320 0.87 GAA (0.51) PRMT1F2ST14PLAUPRMT5
Hydrochloric Acid SCHEMBL3743317 0.85 PRSS1 (0.51) PRMT1F2ST14PLAUTMPRSS2
SCHEMBL20333323 0.84 PRMT1 (0.47) PRMT1F2ST14PLAUPRMT5
SCHEMBL12461922 0.83 PRSS1 (0.50) PRMT1F2ST14PLAUPRMT5
Hydrochloric Acid SCHEMBL9269065 0.82 RARB (0.58) CYP2D6PRSS1GAATP53TSHR
SCHEMBL7042805 0.81 L3MBTL1 (0.59) MAOAKCNH2HRH3GAAHTT
SCHEMBL8942511 0.81 L3MBTL1 (0.59) MAOAKCNH2HRH3GAAHTT
SCHEMBL11546943 0.81 L3MBTL1 (0.59) MAOAKCNH2HRH3GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
US-5246965-A Leukotriene antagonist CIBA-GEIGY (US) 1993-09-21 US disclosed
EP-0518818-A2 Arylethers, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed