SCHEMBL5789092

SCHEMBL5789092

[CH2]c1cc(C(C)(C)O)on1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL9868320 0.76 HCAR2 (0.42) RETMEN1KMT2AEGFR
SCHEMBL5792325 0.74 RET (0.33) RETMEN1KMT2AEGFR
SCHEMBL5789842 0.71
SCHEMBL24130013 0.71 ALDH1A1 (0.39) MEN1KMT2AEGFR
SCHEMBL3770253 0.71 NOTUM (0.42) RETMEN1KMT2AEGFR
SCHEMBL5788631 0.71 RET (0.32) RETMEN1KMT2AEGFR
SCHEMBL1807534 0.71 ALDH1A1 (0.43) MEN1KMT2AEGFR
SCHEMBL3771801 0.69 EGFR (0.33) RETMEN1KMT2AEGFR
SCHEMBL13060542 0.67 HCRTR2 (0.31)
SCHEMBL5790591 0.67 RET (0.34) RET

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-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 WO disclosed