SCHEMBL21701423

SCHEMBL21701423

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4C)CC3)cc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
F10 P00742 10/20 0.54
MALT1 Q9UDY8 1/20 0.54
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 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
SCHEMBL21701458 0.92 MAPT (0.54) POLBMAPTKMT2AGAAF10
SCHEMBL21701410 0.90 POLB (0.57) POLBMAPTKMT2AGAAF10
SCHEMBL21701456 0.90 POLB (0.57) POLBMAPTKMT2AGAAF10
SCHEMBL21701415 0.90 POLB (0.67) POLBMAPTKMT2AF10CA1
SCHEMBL21701425 0.88 POLB (0.55) POLBMAPTKMT2AGAAF10
SCHEMBL21682947 0.88 SERPINE1 (0.59) POLBMAPTKMT2AF10MALT1
SCHEMBL21701424 0.88 GAA (0.59) POLBMAPTKMT2AGAAF10
SCHEMBL21701412 0.86 KMT2A (0.55) POLBMAPTKMT2AGAAF10
SCHEMBL21701605 0.83 MAPT (0.57) POLBMAPTKMT2AF10NPC1
SCHEMBL21701427 0.83 MAPT (0.57) POLBMAPTF10NPC1KEAP1

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