SCHEMBL11575701

SCHEMBL11575701

Nc1ccc2c(c1)OC(CCl)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 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
SCHEMBL25626596 0.80 CHRNB4 (0.38) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL12862906 0.78 MAPT (0.39) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL15013787 0.77 MAPT (0.38) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL5285093 0.77 MAPT (0.39) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL17644228 0.76 CA2 (0.40) CA2
SCHEMBL13862088 0.76 CA2 (0.39) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL15013577 0.74 GRM2 (0.38) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL3632741 0.73 CA2 (0.45) MAPTSMN1; SMN2CA2LMNAHTT
SCHEMBL15011154 0.73 GRM2 (0.43) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL1168316 0.73 PRKCI (0.41) MAPTKDM4EGAACHRNB4CHRNA3

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-4155915-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed