SCHEMBL9719050

SCHEMBL9719050

CCOC(=O)C(C#N)(CCBr)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR2 P34972 4/20 0.40
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
CCR1 P32246 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 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
SCHEMBL9719015 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ECNR2
SCHEMBL3007307 0.80 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1KDM4ECNR2
SCHEMBL9719059 0.79 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1KDM4ECNR2
SCHEMBL28484877 0.75 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4ECNR2
SCHEMBL3010010 0.68 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL16138748 0.68 CCR1 (0.39) KMT2AMEN1CNR2CCR1
SCHEMBL11436958 0.67 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4ECNR2
SCHEMBL622374 0.66 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1CNR2L3MBTL1
SCHEMBL3005304 0.65 L3MBTL1 (0.48) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL22323105 0.65 CCR1 (0.54) KMT2AMEN1ALDH1A1CNR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 EP disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed