SCHEMBL2979449

SCHEMBL2979449

CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12.CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 8/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL2444862 0.88 PKM (0.39) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL9828807 0.82 MAPT (0.61) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL29452812 0.82 MAPT (0.61) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL29372446 0.82 MAPT (0.61) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL9828522 0.82 MAPT (0.61) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL96159 0.82 MAPT (0.61) MAPTPKML3MBTL1KDM4ECYP3A4
Water SCHEMBL1095558 0.81 MAPT (0.60) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL9830914 0.79 PKM (0.57) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL9828624 0.76 PKM (0.60) MAPTPKML3MBTL1KDM4ECYP3A4
SCHEMBL9828717 0.72 PKM (0.55) MAPTPKML3MBTL1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781374-B2 Synergistic mixtures BAYER CROPSCIENCE AG (DE) 2010-08-24 US claimed