SCHEMBL21701494

SCHEMBL21701494

COc1ccc(C(=O)Nc2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.59
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.53
SERPINE1 P05121 2/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.51
NR4A1 P22736 1/20 0.51
MCL1 Q07820 1/20 0.51
KLKB1 P03952 1/20 0.51

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
SCHEMBL21701605 0.97 MAPT (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701594 0.90 F10 (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701581 0.87 POLB (0.56) F10MAPTPOLBRAB9AKMT2A
SCHEMBL21701415 0.86 POLB (0.67) F10MAPTPOLBSERPINE1RAB9A
SCHEMBL21701421 0.85 MAPT (0.53) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701426 0.85 F10 (0.61) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701424 0.84 GAA (0.59) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701455 0.82 MAPT (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701427 0.82 MAPT (0.57) F10MAPTPOLBSERPINE1KEAP1
SCHEMBL21701410 0.81 POLB (0.57) F10MAPTPOLBKMT2A

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