SCHEMBL17425859

SCHEMBL17425859

CCCNC(=O)c1ccc(-n2c(-c3cccnc3)cc3c2CCC(C)C3)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.80
TP53 P04637 9/20 0.80
THRB P10828 3/20 0.80
LMNA P02545 9/20 0.67
POLB P06746 2/20 0.49

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
SCHEMBL3324538 0.91 MAPT (0.66) MAPTTP53THRBLMNAPOLB
SCHEMBL3324506 0.85 MAPT (0.61) MAPTTP53THRBLMNAPOLB
SCHEMBL3321687 0.79 MAPT (0.81) MAPTTP53THRBLMNAPOLB
SCHEMBL3323179 0.79 MAPT (0.50) MAPTTP53THRBLMNA
SCHEMBL3324225 0.79 MAPT (0.79) MAPTTP53THRBLMNAPOLB
SCHEMBL3321679 0.78 MAPT (0.78) MAPTTP53THRBLMNAPOLB
SCHEMBL3324252 0.76 MAPT (0.75) MAPTTP53THRBLMNA
SCHEMBL3325888 0.75 MAPT (0.73) MAPTTP53THRBLMNAPOLB
SCHEMBL3322966 0.74 MAPT (0.72) MAPTTP53THRBLMNAPOLB
SCHEMBL3323549 0.74 MAPT (0.75) MAPTTP53THRBLMNA

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
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed