SCHEMBL7606772

SCHEMBL7606772

COc1ccc2oc(-c3ccc(C=S)cc3)c(O)c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.67
CSNK2B P67870 2/20 0.67
CSNK2A1 P68400 2/20 0.67
KDM4E B2RXH2 8/20 0.64
MAPT P10636 8/20 0.64
CYP3A4 P08684 7/20 0.64
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 4/20 0.64
TP53 P04637 4/20 0.64
HPGD P15428 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.57
ACHE P22303 2/20 0.57
BACE1 P56817 2/20 0.57
ADORA3 P0DMS8 1/20 0.56
ABCG2 Q9UNQ0 3/20 0.55
CYP2C9 P11712 4/20 0.54

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
SCHEMBL4650608 0.89 CSNK2A2 (0.82) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL7124716 0.86 CSNK2A2 (0.74) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL2121813 0.84 KDM4E (0.74) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL15676583 0.84 KDM4E (0.74) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL7659274 0.81 ADORA3 (0.81) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL4648874 0.81 ABCG2 (0.82) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL5138118 0.80 MAPT (0.84) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL31356554 0.80 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL4648920 0.80 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT
SCHEMBL1664239 0.79 ADORA3 (0.73) CSNK2A2CSNK2BCSNK2A1KDM4EMAPT

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
EP-0915864-B1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARM CO LTD (KR) 2002-09-04 EP disclosed
EP-0915864-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE Dong A Pharmaceutical Co. Ltd. (KR) 1999-05-19 EP disclosed
WO-1998004541-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARMACEUTICAL CO., LTD. (KR) 1998-02-05 WO disclosed