SCHEMBL9038366

SCHEMBL9038366

O=c1oc(-c2ccccc2)cc(O)c1CSC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 6/20 0.42
MAPT P10636 6/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALOX15 P16050 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 4/20 0.36
CYP3A4 P08684 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP1B1 Q16678 3/20 0.36
FTO Q9C0B1 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 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
SCHEMBL6959106 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7367971 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6955608 0.75 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7372932 0.74 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7377223 0.74 ABCB1 (0.40) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL7367968 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6955768 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL8538762 0.73 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6176076 0.72 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1POLBABCB1MAPT
SCHEMBL6954004 0.71 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1MAPT

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
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed