SCHEMBL8904005

SCHEMBL8904005

CCOC(=O)COc1ccc(NC(=O)c2occ3cc(C=NSC)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 3/20 0.37
TP53 P04637 4/20 0.37
ALDH2 P05091 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 2/20 0.36
FAAH O00519 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8718269 0.82 KMT2A (0.44) EPHX2MAPTGAATP53ALDH2
SCHEMBL8903999 0.81 MAPT (0.46) EPHX2MAPTTP53SMN1; SMN2JAK2
SCHEMBL8904054 0.79 TPSAB1 (0.49) EPHX2MAPTTP53SMN1; SMN2POLB
SCHEMBL8718449 0.79 KDM4E (0.43) EPHX2MAPTGAATP53ALDH2
SCHEMBL8905612 0.69 PSEN1 (0.39) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL22192691 0.68 NPC1 (0.65) EPHX2MAPTGAATP53SMN1; SMN2
SCHEMBL8904711 0.67 MAPT (0.43) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL8903964 0.67 ITGB3 (0.44) MAPTTP53SMN1; SMN2JAK2ALDH1A1
SCHEMBL829971 0.66 KMT2A (0.71) EPHX2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL8718013 0.65 SMN1; SMN2 (0.37) MAPTGAASMN1; SMN2ALDH1A1KMT2A

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed