SCHEMBL7080163

SCHEMBL7080163

CN(C)S(=O)(=O)Oc1ccc(-c2ccc([C@@]3(C(C)(C)C)CCC(=O)N3C(=O)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6600839 0.72 POLB (0.36) MEN1KMT2AGAAMAPT
SCHEMBL7040949 0.68 CA2 (0.40) RAB9ACA12CA2SMN1; SMN2MEN1
SCHEMBL7046052 0.65 CA2 (0.59) RAB9ACA12CA2SMN1; SMN2MEN1
SCHEMBL1256801 0.61 RAB9A (0.42) RAB9ACA12CA2SMN1; SMN2MEN1
SCHEMBL15362300 0.59 RAB9A (0.61) RAB9ACA12CA2SMN1; SMN2MEN1
SCHEMBL1538262 0.58 RAB9A (0.55) RAB9ACA12CA2SMN1; SMN2MEN1
SCHEMBL28312673 0.58 RAB9A (0.70) RAB9ACA12CA2SMN1; SMN2MEN1
SCHEMBL20679760 0.58 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7041726 0.58 CA2 (0.41) RAB9ACA12CA2CCNB2CDK1
SCHEMBL15290701 0.57 RAB9A (0.62) RAB9ACA12CA2SMN1; SMN2MEN1

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-1322604-A1 DELTA 1-PYRROLINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
WO-2002024644-A1 DELTA 1-PYRROLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO disclosed