SCHEMBL752519

SCHEMBL752519

CN(C)[C@H]1CC[C@H]([NH])CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.30

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
SCHEMBL752518 1.00 TDP1 (0.33) TDP1L3MBTL3
SCHEMBL661220 0.83 TDP1 (0.42) TDP1L3MBTL3
SCHEMBL613375 0.83
Ammonia Solution, Strong SCHEMBL108384 0.79
Bromide SCHEMBL28409559 0.79
Iodide SCHEMBL22034578 0.79
Hydrochloric Acid SCHEMBL8936898 0.79 TDP1 (0.40) TDP1L3MBTL3
Hydrochloric Acid SCHEMBL1165195 0.79
SCHEMBL6946248 0.73
Isothiocyanate SCHEMBL6950045 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
EP-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed