SCHEMBL21701426

SCHEMBL21701426

COc1ccc(C(=O)Nc2ccc(N3CCCN(c4c(OC)cccc4OC)CC3)cc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.61
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.53
KLKB1 P03952 1/20 0.53
SERPINE1 P05121 1/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52

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
SCHEMBL21701427 0.97 MAPT (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701424 0.90 GAA (0.59) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701410 0.87 POLB (0.57) F10MAPTPOLB
SCHEMBL21701415 0.86 POLB (0.67) F10MAPTPOLBSERPINE1
SCHEMBL21701494 0.85 F10 (0.59) F10MAPTPOLBKLKB1SERPINE1
SCHEMBL21701421 0.83 MAPT (0.53) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701594 0.83 F10 (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701605 0.82 MAPT (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701455 0.82 MAPT (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701458 0.81 MAPT (0.54) F10MAPTPOLBSERPINE1KEAP1

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