SCHEMBL21701424

SCHEMBL21701424

COc1ccc(C(=O)Nc2ccc(N3CCCN(c4ccccc4OC)CC3)cc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
F10 P00742 13/20 0.58
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
SERPINE1 P05121 1/20 0.52
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
SCHEMBL21701410 0.97 POLB (0.57) GAAKMT2AF10POLBMAPT
SCHEMBL21701426 0.90 F10 (0.61) F10POLBMAPTSERPINE1KEAP1
SCHEMBL21701412 0.89 KMT2A (0.55) GAAKMT2AF10POLBMAPT
SCHEMBL21701456 0.88 POLB (0.57) GAAKMT2AF10POLBMAPT
SCHEMBL21701423 0.88 POLB (0.57) GAAKMT2AF10POLBMAPT
SCHEMBL21701415 0.87 POLB (0.67) KMT2AF10POLBMAPTSERPINE1
SCHEMBL21701427 0.87 MAPT (0.57) F10POLBMAPTSERPINE1KEAP1
SCHEMBL21701425 0.85 POLB (0.55) GAAKMT2AF10POLBMAPT
SCHEMBL21701494 0.84 F10 (0.59) KMT2AF10POLBMAPTSERPINE1
SCHEMBL21701458 0.84 MAPT (0.54) GAAKMT2AF10POLBMAPT

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