SCHEMBL623999

SCHEMBL623999

CCOC(=O)C1CCCN(c2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.55
THRB P10828 4/20 0.54
LMNA P02545 6/20 0.52
TP53 P04637 3/20 0.52
POLB P06746 3/20 0.51

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
SCHEMBL625777 0.89 MAPT (0.56) MAPTTHRBLMNATP53POLB
SCHEMBL623998 0.85 PIM1 (0.51) MAPTTP53
SCHEMBL624450 0.83 PIM1 (0.54) MAPTTHRBLMNATP53POLB
SCHEMBL624017 0.80 MAPT (0.49) MAPTTHRBLMNATP53POLB
SCHEMBL624634 0.80 MAPT (0.52) MAPTTHRBLMNATP53POLB
SCHEMBL628100 0.77 MAPT (0.54) MAPTTHRBLMNATP53POLB
SCHEMBL623867 0.75 PIM1 (0.44) MAPTTHRB
SCHEMBL625035 0.75 THRB (0.48) MAPTTHRB
SCHEMBL625742 0.75 THRB (0.43) MAPTTHRBPOLB
SCHEMBL625776 0.73 PIM1 (0.55)

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed