SCHEMBL5285093

SCHEMBL5285093

Nc1ccc2c(c1)OC(Cl)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.33
F2 P00734 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL27682747 0.77 MAPT (0.39) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL2268647 0.77 CHRNB4 (0.41) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL11575701 0.77 MAPT (0.36) MAPTKDM4EGAACHRNB4CHRNA3
Hydrochloric Acid SCHEMBL20502990 0.76 MAPT (0.42) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL1479641 0.73
SCHEMBL1168033 0.72 MAPT (0.36) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL354061 0.72 PNMT (0.36) HRH3CA1CA2CA12CA9
SCHEMBL25626596 0.72 CHRNB4 (0.38) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL16372586 0.72 CHRNB4 (0.51) MAPTKDM4EGAACHRNB4CHRNA3
SCHEMBL5315148 0.71 POLB (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed