SCHEMBL3872003

SCHEMBL3872003

CCn1c(C2CC2)c(C(=O)O)c(=O)c2c([N+](=O)[O-])c(F)c(F)c(OC)c21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 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
SCHEMBL3877791 0.89
SCHEMBL3869743 0.87
SCHEMBL3869794 0.85 MEN1 (0.37) SMN1; SMN2PKM
SCHEMBL3869123 0.79 ALDH1A1 (0.33) SMN1; SMN2PKM
SCHEMBL3875283 0.77 CHRM2 (0.33) DRD2SMN1; SMN2
SCHEMBL10725768 0.76 STAT3 (0.35) SMN1; SMN2
SCHEMBL3870644 0.75 ALDH1A1 (0.31) SMN1; SMN2PKM
SCHEMBL4707472 0.74 MEN1 (0.31)
SCHEMBL4706994 0.73 MEN1 (0.31)
SCHEMBL1345075 0.73 ALDH1A1 (0.40) DRD2SMN1; SMN2

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-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed