Isothiazole

Isothiazole

SCHEMBL3981089

COc1cc(-c2cc(-c3cc(OC)c(OC)c(OP(=O)(O)O)c3)ns2)cc(OC)c1OC.c1cnsc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 1/20 0.35
INPPL1 O15357 1/20 0.35
MAPT P10636 5/20 0.33
LMNA P02545 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 2/20 0.33
USP2 O75604 1/20 0.33
F2 P00734 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Isothiazole SCHEMBL3984653 0.82 FYN (0.34) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
Isothiazole SCHEMBL3980042 0.81 INPPL1 (0.35) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
Isothiazole SCHEMBL3981927 0.79 NEK2 (0.38) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
Isothiazole SCHEMBL3988665 0.73 ADORA3 (0.31) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL616195 0.69 INPPL1 (0.43) ALDH1A1HPGDKDM4EGAAINPPL1
SCHEMBL618921 0.69 INPPL1 (0.43) ALDH1A1HPGDKDM4EGAAINPPL1
Isothiazole SCHEMBL4092314 0.69 FYN (0.35) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
Isothiazole SCHEMBL3987853 0.66 TUBB4A (0.34) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4651028 0.66 ACHE (0.46) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL10189246 0.65 INPPL1 (0.38) ALDH1A1HPGDKDM4EGAAINPPL1

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-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed