SCHEMBL6249338

SCHEMBL6249338

CCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)C#CCC(C)C#N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL5692474 0.84 GRN (0.30)
SCHEMBL3945884 0.84 POLB (0.30) POLBGAA
SCHEMBL4616219 0.83 PKM (0.35) MEN1ALDH1A1KMT2APOLBGAA
SCHEMBL3946333 0.83 PKM (0.32) MEN1ALDH1A1KMT2APOLBGAA
SCHEMBL3940781 0.83 TSHR (0.33) MEN1ALDH1A1KMT2APOLBGAA
SCHEMBL3945993 0.81 ALDH1A1 (0.32) ALDH1A1POLBGAA
SCHEMBL3946084 0.79 ALDH1A1 (0.31) ALDH1A1POLBGAA
SCHEMBL11511635 0.79 POLB (0.34) MEN1ALDH1A1KMT2APOLBGAA
SCHEMBL3939634 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL3942673 0.78 NPSR1 (0.33) ALDH1A1

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-1567479-A1 FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004048315-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed