SCHEMBL21701422

SCHEMBL21701422

COc1ccc(C(=O)Nc2ccc(N3CCC(c4ccccc4OC)C3)cc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.67
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.48
F10 P00742 7/20 0.47
LMNA P02545 1/20 0.47
PRSS12 P56730 1/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL21701416 0.91 MALT1 (0.81) MALT1MAPTPOLBF10LMNA
SCHEMBL21701410 0.82 POLB (0.57) MAPTPOLBF10KMT2AGAA
SCHEMBL21701415 0.81 POLB (0.67) MAPTPOLBF10CA1CA9
SCHEMBL21701427 0.81 MAPT (0.57) MAPTPOLBF10
SCHEMBL21701424 0.79 GAA (0.59) MAPTPOLBF10KMT2AGAA
SCHEMBL21701489 0.79 MAPT (0.57) MALT1MAPTPOLBF10LMNA
SCHEMBL21701426 0.78 F10 (0.61) MAPTPOLBF10
SCHEMBL21701459 0.77 RXFP1 (0.54) MALT1MAPTPOLBLMNAPRSS12
SCHEMBL21701421 0.77 MAPT (0.53) MAPTPOLBF10ALDH1A1KDM4E
SCHEMBL21701456 0.76 POLB (0.57) MALT1MAPTPOLBF10NPSR1

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