SCHEMBL28590372

SCHEMBL28590372

O=Cc1cc(O)c(-c2nc3ccccc3s2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
MAPT P10636 11/20 0.58
RAB9A P51151 10/20 0.58
NPC1 O15118 7/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
GAA P10253 7/20 0.58
HSD17B10 Q99714 3/20 0.58
POLB P06746 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
APP P05067 1/20 0.58
THRB P10828 1/20 0.58
ALOX15 P16050 1/20 0.58
CASP1 P29466 1/20 0.58
SNCA P37840 1/20 0.58
CASP7 P55210 1/20 0.58
ALDH1A1 P00352 8/20 0.48

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
SCHEMBL23723 0.94 KDM4E (0.58) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL22425 0.83 MAPT (0.64) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL16341043 0.83 KDM4E (0.71) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL28735235 0.82 KDM4E (0.60) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL28276143 0.82 MAPT (0.64) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL29658196 0.82 KDM4E (0.60) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL2475992 0.80 KDM4E (0.58) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL31733941 0.80 RAB9A (0.59) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL30917267 0.80 MAPT (0.67) KDM4EMAPTRAB9ANPC1NPSR1
SCHEMBL28324402 0.80 MAPT (0.67) KDM4EMAPTRAB9ANPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108774241-B Probe and preparation and application thereof 贵州大学 2021-07-13 CN claimed
CN-109307661-B Cr in living cells 3+ 、Al 3+ Or Zn 2+ Fluorescent imaging method of (2) 贵州大学 2023-09-12 CN disclosed