SCHEMBL4620213

SCHEMBL4620213

CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 5/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 2/20 0.53
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL4620207 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL21094 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL4620431 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL4620434 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL8842237 0.87 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
Diclocymet SCHEMBL2486533 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL9571742 0.85 SMN1; SMN2 (0.39) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL3231214 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL9488392 0.82 SMN1; SMN2 (0.62) SMN1; SMN2LMNATSHRMAPK1ALDH1A1
SCHEMBL4442823 0.82 IMPDH2 (0.43) MAPK1ALDH1A1L3MBTL1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889028-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
EP-1889029-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
US-20080202259-A1 Method For Determining Pesticide Residues in Soil or Plant Material BASF AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080192251-A1 Method For Determining Residues in Plastics BASF AKTIENGESELLSCHAFT (DE) 2008-08-14 US disclosed
EP-1889029-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
EP-1889028-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
US-6559136-B1 Pyrimidine derivatives and other known fungicidally active compounds and being highly suitable for controlling phytopathogenic fungi BAYER AKTIENGESELLSCHAFT (DE) 2003-05-06 US disclosed