SCHEMBL9218664

SCHEMBL9218664

CCOC(=O)C(=NN(Cl)c1ccc(C(F)(F)F)cc1Cl)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GPR35 Q9HC97 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 1/20 0.37
ALOX12 P18054 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9217501 0.90 MAPT (0.45) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9215595 0.90 MAPT (0.46) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9218168 0.88 MAPT (0.43) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9212175 0.86 MAPT (0.46) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9704229 0.85 MAPT (0.47) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9704795 0.85 MAPT (0.47) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9215621 0.85 MAPT (0.44) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL9216173 0.85 MAPT (0.42) MAPTGAASMN1; SMN2ALDH1A1GPR35
SCHEMBL10437726 0.73 MAPT (0.37) MAPTGAAALDH1A1KDM4E
SCHEMBL9218647 0.72 ABCB1 (0.64) MAPTGAASMN1; SMN2ALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed