SCHEMBL21701489

SCHEMBL21701489

COc1ccc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
F10 P00742 6/20 0.52
POLB P06746 1/20 0.51
SERPINE1 P05121 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
MALT1 Q9UDY8 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NR4A1 P22736 1/20 0.48
RAB9A P51151 1/20 0.48
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KCNK2 O95069 1/20 0.48

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
SCHEMBL21701415 0.84 POLB (0.67) MAPTL3MBTL1F10POLBSERPINE1
SCHEMBL21701456 0.81 POLB (0.57) MAPTL3MBTL1F10POLBSERPINE1
SCHEMBL21701605 0.80 MAPT (0.57) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701455 0.80 MAPT (0.57) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701427 0.80 MAPT (0.57) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701423 0.79 POLB (0.57) MAPTL3MBTL1F10POLBKEAP1
SCHEMBL21701596 0.79 SMN1; SMN2 (0.44) MAPTL3MBTL1POLBKEAP1NFE2L2
SCHEMBL21701410 0.79 POLB (0.57) MAPTF10POLBKMT2A
SCHEMBL21701457 0.79 ALDH1A1 (0.66) MAPTL3MBTL1F10POLBSERPINE1
SCHEMBL21701458 0.78 MAPT (0.54) MAPTF10POLBSERPINE1KEAP1

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