SCHEMBL21701427

SCHEMBL21701427

COc1ccc(C(=O)Nc2ccc(N3CCN(c4c(OC)cccc4OC)CC3)cc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
F10 P00742 14/20 0.56
POLB P06746 1/20 0.56
SERPINE1 P05121 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 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
SCHEMBL21701426 0.97 F10 (0.61) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701410 0.89 POLB (0.57) MAPTF10POLB
SCHEMBL21701415 0.89 POLB (0.67) MAPTF10POLBSERPINE1NPC1
SCHEMBL21701424 0.87 GAA (0.59) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701421 0.86 MAPT (0.53) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701605 0.84 MAPT (0.57) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701458 0.83 MAPT (0.54) MAPTF10POLBSERPINE1KEAP1
SCHEMBL21701456 0.83 POLB (0.57) MAPTF10POLBSERPINE1
SCHEMBL21701423 0.83 POLB (0.57) MAPTF10POLBKEAP1NFE2L2
SCHEMBL21701412 0.83 KMT2A (0.55) MAPTF10POLBNPC1RAB9A

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