SCHEMBL21701458

SCHEMBL21701458

COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
F10 P00742 10/20 0.54
POLB P06746 1/20 0.53
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
MALT1 Q9UDY8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
SERPINE1 P05121 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
SCHEMBL21701423 0.92 POLB (0.57) MAPTF10POLBKMT2AGAA
SCHEMBL21701410 0.87 POLB (0.57) MAPTF10POLBKMT2AGAA
SCHEMBL21701456 0.87 POLB (0.57) MAPTF10POLBKMT2AGAA
SCHEMBL21701415 0.86 POLB (0.67) MAPTF10POLBKMT2AALDH1A1
SCHEMBL21701425 0.84 POLB (0.55) MAPTF10POLBKMT2AGAA
SCHEMBL21682947 0.84 SERPINE1 (0.59) MAPTF10POLBKMT2AMALT1
SCHEMBL21701424 0.84 GAA (0.59) MAPTF10POLBKMT2AGAA
SCHEMBL21701427 0.83 MAPT (0.57) MAPTF10POLBKEAP1NFE2L2
SCHEMBL21701412 0.83 KMT2A (0.55) MAPTF10POLBKMT2AGAA
SCHEMBL21701605 0.82 MAPT (0.57) MAPTF10POLBKMT2AKEAP1

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