SCHEMBL21701581

SCHEMBL21701581

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
CYP2C9 P11712 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
F10 P00742 10/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.49
MAPK1 P28482 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
SCHEMBL21701594 0.97 F10 (0.57) POLBALDH1A1MAPTCYP2C9SMN1; SMN2
SCHEMBL21701605 0.89 MAPT (0.57) POLBMAPTF10NPC1RAB9A
SCHEMBL21701415 0.88 POLB (0.67) POLBALDH1A1MAPTL3MBTL1F10
SCHEMBL21701494 0.87 F10 (0.59) POLBALDH1A1MAPTF10RAB9A
SCHEMBL21683033 0.86 ALDH1A1 (0.57) ALDH1A1MAPTCYP2C9SMN1; SMN2CYP1A2
SCHEMBL21701421 0.85 MAPT (0.53) POLBALDH1A1MAPTL3MBTL1F10
SCHEMBL21771103 0.83 RAB9A (0.68) ALDH1A1MAPTCYP2C9SMN1; SMN2L3MBTL1
SCHEMBL31504246 0.83 RAB9A (0.68) ALDH1A1MAPTCYP2C9SMN1; SMN2L3MBTL1
SCHEMBL21701456 0.83 POLB (0.57) POLBMAPTL3MBTL1F10KMT2A
SCHEMBL21701423 0.83 POLB (0.57) POLBALDH1A1MAPTSMN1; SMN2L3MBTL1

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