SCHEMBL21701455

SCHEMBL21701455

COc1ccc(C(=O)Nc2ccc(N3CCCNCC3)cc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
F10 P00742 10/20 0.57
SERPINE1 P05121 2/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 1/20 0.54
NR4A1 P22736 1/20 0.54
RAB9A P51151 1/20 0.54
MCL1 Q07820 1/20 0.54
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
POLB P06746 1/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
GAA P10253 1/20 0.49
MEN1 O00255 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
SCHEMBL21682968 0.88 ALDH1A1 (0.56) MAPTF10KMT2AALDH1A1NR4A1
SCHEMBL21701415 0.84 POLB (0.67) MAPTF10SERPINE1KMT2AALDH1A1
SCHEMBL340622 0.82 MAPT (0.68) MAPTF10SERPINE1KMT2AALDH1A1
SCHEMBL21701426 0.82 F10 (0.61) MAPTF10SERPINE1KEAP1NFE2L2
SCHEMBL21701494 0.82 F10 (0.59) MAPTF10SERPINE1KEAP1NFE2L2
SCHEMBL21701424 0.81 GAA (0.59) MAPTF10SERPINE1KEAP1NFE2L2
SCHEMBL21701427 0.80 MAPT (0.57) MAPTF10SERPINE1KEAP1NFE2L2
SCHEMBL21701605 0.80 MAPT (0.57) MAPTF10SERPINE1KEAP1NFE2L2
SCHEMBL21701489 0.80 MAPT (0.57) MAPTF10SERPINE1KEAP1NFE2L2
SCHEMBL5398796 0.79 KMT2A (0.51) MAPTF10KMT2AALDH1A1NR4A1

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