SCHEMBL7124827

SCHEMBL7124827

COc1cc(C2SCC(=O)N2CCCSS(C)(=O)=O)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 2/20 0.50
MAPT P10636 4/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNA5 P22460 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5153185 0.89 SMN1; SMN2 (0.58) SMN1; SMN2GAAMAPTMAPK1TDP1
SCHEMBL5156120 0.86 SMN1; SMN2 (0.60) SMN1; SMN2GAAMAPTMAPK1TDP1
SCHEMBL5149817 0.82 KMT2A (0.65) SMN1; SMN2GAAMAPTMAPK1TDP1
SCHEMBL746991 0.73 KMT2A (0.51) SMN1; SMN2GAAMAPTMAPK1TDP1
SCHEMBL9778888 0.67 APP (0.55) SMN1; SMN2MAPTTDP1ALDH1A1HSD17B10
SCHEMBL5151489 0.66 SMN1; SMN2 (0.80) SMN1; SMN2GAAMAPTMAPK1TDP1
SCHEMBL5398622 0.66 NPSR1 (0.50) ALDH1A1LMNAMEN1KMT2AKCNA5
SCHEMBL16209660 0.66 KMT2A (0.78) SMN1; SMN2GAAMAPTMAPK1TDP1
SCHEMBL5402951 0.66 CYP19A1 (0.51) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL5151451 0.65 SMN1; SMN2 (0.85) SMN1; SMN2GAAMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed