Isothiazole

Isothiazole

SCHEMBL3981672

COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)cc1OS(=O)(=O)O.c1cnsc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB4A P04350 4/20 0.34
TUBB P07437 4/20 0.34
TUBA3C P0DPH7 4/20 0.34
TUBA1B P68363 4/20 0.34
TUBA4A P68366 4/20 0.34
TUBB4B P68371 4/20 0.34
TUBB3 Q13509 4/20 0.34
TUBB2A Q13885 4/20 0.34
TUBB8 Q3ZCM7 4/20 0.34
TUBA3E Q6PEY2 4/20 0.34
TUBA1A Q71U36 4/20 0.34

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 SCHEMBL3981927 0.83 NEK2 (0.38) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
Isothiazole SCHEMBL3982389 0.81 TUBB4A (0.36) MAPTTUBB4ATUBBTUBA3CTUBA1B
Isothiazole SCHEMBL3984653 0.80 FYN (0.34) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL617920 0.72 TUBB4A (0.44) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL617386 0.70 TUBB4A (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4651028 0.68 ACHE (0.46) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL15159032 0.65 TUBB4A (0.37) ALDH1A1MAPTTUBB4ATUBBTUBA3C
SCHEMBL13593082 0.64 TUBB4A (0.61) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1168756 0.64 MEN1 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
Isothiazole SCHEMBL3985152 0.64 NEK2 (0.38) ALDH1A1KMT2AKDM4EMEN1MAPT

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