SCHEMBL28012200

SCHEMBL28012200

O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3cccs3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
MAOA P21397 3/20 0.59
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
ALOX15 P16050 2/20 0.59
MAOB P27338 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP3A4 P08684 2/20 0.57
RECQL P46063 2/20 0.57
ELANE P08246 2/20 0.57
USP2 O75604 1/20 0.57

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
SCHEMBL22909075 0.79 ALDH1A1 (0.62) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL15413504 0.79 ALDH1A1 (0.62) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL30544826 0.77 MAPT (1.00) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL83688 0.77 MAPT (1.00) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL29356886 0.77 MAPT (1.00) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL8199540 0.76 ALDH1A1 (0.74) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL29928697 0.76 ALDH1A1 (0.74) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL27988731 0.76 ALDH1A1 (0.50) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL30721499 0.75 MAPT (0.95) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL20565674 0.75 MAPT (0.95) ALDH1A1MAPTTSHRTDP1MAOA

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-110526827-A Anthraquinone analogs and its preparation and application UNIV GEORGIA STATE RES FOUND 2019-12-03 CN disclosed
CN-104507902-A Anthraquinone analogs and methods of making and using the same UNIV GEORGIA STATE RES FOUND 2015-04-08 CN disclosed