SCHEMBL21701415

SCHEMBL21701415

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
MAPT P10636 3/20 0.63
F10 P00742 10/20 0.62
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58
SERPINE1 P05121 2/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.56
NR4A1 P22736 1/20 0.56
MCL1 Q07820 1/20 0.56
MEN1 O00255 1/20 0.55

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 0.90 POLB (0.57) POLBMAPTF10KMT2A
SCHEMBL21701456 0.90 POLB (0.57) POLBMAPTF10SERPINE1KMT2A
SCHEMBL21701423 0.90 POLB (0.57) POLBMAPTF10CA1CA9
SCHEMBL21701605 0.89 MAPT (0.57) POLBMAPTF10SERPINE1KMT2A
SCHEMBL21701427 0.89 MAPT (0.57) POLBMAPTF10SERPINE1RAB9A
SCHEMBL21701581 0.88 POLB (0.56) POLBMAPTF10CA1CA9
SCHEMBL21701425 0.87 POLB (0.55) POLBMAPTF10CA1CA9
SCHEMBL21701424 0.87 GAA (0.59) POLBMAPTF10SERPINE1KMT2A
SCHEMBL21701426 0.86 F10 (0.61) POLBMAPTF10SERPINE1
SCHEMBL21701457 0.86 ALDH1A1 (0.66) POLBMAPTF10CA1CA9

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