SCHEMBL22966342

SCHEMBL22966342

O=C=Nc1cccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4cccc(N=C=O)c4)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
AKR1C3 P42330 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAOB P27338 2/20 0.37
PGR P06401 2/20 0.36
CA9 Q16790 2/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA14 Q9ULX7 1/20 0.36
FURIN P09958 1/20 0.36
GSTP1 P09211 1/20 0.35
MAOA P21397 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL25873067 0.90 AKR1C3 (0.34) MAPTAKR1C3HDAC8PGRCA9
SCHEMBL62179 0.88 AKR1C3 (0.46) MAPTAKR1C3HDAC8MAOBFURIN
SCHEMBL22966366 0.86 MAPT (0.43) MAPTPGRCA9MMP2MMP8
SCHEMBL8143862 0.85 FURIN (0.41) MAPTAKR1C3MAOBFURINGSTP1
SCHEMBL1861293 0.83 FURIN (0.46) MAPTAKR1C3MAOBFURINMAPK1
SCHEMBL29808710 0.83 TDP1 (0.44) MAPTAKR1C3MAOBFURINMAPK1
SCHEMBL5104173 0.83 TDP1 (0.44) MAPTAKR1C3MAOBFURINMAPK1
SCHEMBL7133728 0.81 CYP3A4 (0.44) MAPTAKR1C3MAOBFURINMAPK1
SCHEMBL10798101 0.79 LTA4H (0.55) PGRCA9MMP2MMP8MMP14
SCHEMBL25873069 0.78 MAPT (0.37) MAPTPGRCA9MMP2MMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016699-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INC (US) 2024-01-18 US disclosed
US-11707411-B2 Pharmaceutical packages with coatings comprising polycyanurates CORNING INCORPORATED (US) 2023-07-25 US disclosed
US-20210038474-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INCORPORATED 2021-02-11 US disclosed