SCHEMBL21701410

SCHEMBL21701410

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)cc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
F10 P00742 12/20 0.54

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
SCHEMBL21701424 0.97 GAA (0.59) POLBMAPTGAAKMT2AADRA1D
SCHEMBL21701412 0.92 KMT2A (0.55) POLBMAPTGAAKMT2AADRA1D
SCHEMBL21701456 0.90 POLB (0.57) POLBMAPTGAAKMT2AF10
SCHEMBL21701423 0.90 POLB (0.57) POLBMAPTGAAKMT2AF10
SCHEMBL21701415 0.90 POLB (0.67) POLBMAPTKMT2AF10
SCHEMBL21701427 0.89 MAPT (0.57) POLBMAPTF10
SCHEMBL21701425 0.88 POLB (0.55) POLBMAPTGAAKMT2AF10
SCHEMBL21701426 0.87 F10 (0.61) POLBMAPTF10
SCHEMBL21701458 0.87 MAPT (0.54) POLBMAPTGAAKMT2AF10
SCHEMBL21701421 0.85 MAPT (0.53) POLBMAPTKMT2AF10

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-2020033944-A2 NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-02-13 WO disclosed