SCHEMBL19250495

SCHEMBL19250495

C=C/C(C)=C\C(C#N)=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL25490784 0.74
SCHEMBL18179883 0.73
SCHEMBL14456607 0.71 TDP1 (0.33) TDP1
SCHEMBL25123807 0.68 TDP1 (0.31) TDP1
SCHEMBL22592150 0.67
SCHEMBL21974146 0.67
SCHEMBL27342262 0.67
SCHEMBL17109663 0.67 ALDH1A1 (0.38) TDP1
SCHEMBL19648602 0.65
SCHEMBL19781557 0.65

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-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed