Isothiazole

Isothiazole

SCHEMBL3982389

COc1ccc(-c2csnc2-c2cc(OC)c(OC)c(OC)c2)cc1OS(=O)(=O)O.c1cnsc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.36
TUBB P07437 5/20 0.36
TUBA3C P0DPH7 5/20 0.36
TUBA1B P68363 5/20 0.36
TUBA4A P68366 5/20 0.36
TUBB4B P68371 5/20 0.36
TUBB3 Q13509 5/20 0.36
TUBB2A Q13885 5/20 0.36
TUBB8 Q3ZCM7 5/20 0.36
TUBA3E Q6PEY2 5/20 0.36
TUBA1A Q71U36 5/20 0.36
TUBA1C Q9BQE3 5/20 0.36
TUBB6 Q9BUF5 5/20 0.36
TUBB2B Q9BVA1 5/20 0.36
TUBB1 Q9H4B7 5/20 0.36
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
RELA Q04206 1/20 0.33
PDGFRB P09619 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL617386 0.91 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15159032 0.85 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Isothiazole SCHEMBL3985152 0.83 NEK2 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Isothiazole SCHEMBL3981672 0.81 SMN1; SMN2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Isothiazole SCHEMBL3987853 0.80 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Isothiazole SCHEMBL3980042 0.78 INPPL1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Isothiazole SCHEMBL3988665 0.77 ADORA3 (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL618170 0.75 KMT2A (0.38) FYNCYP3A4LMNAMAPT
SCHEMBL619216 0.74 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL615927 0.74 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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