Isothiazole

Isothiazole

SCHEMBL4092314

COc1ccc(-c2cc(-c3cc(OC)c4c(c3)OCO4)sn2)cc1SP(=O)(O)O.c1cnsc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FLT3 P36888 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 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
Isothiazole SCHEMBL3984653 0.87 FYN (0.34) FYNNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL615948 0.78 FYN (0.37) FYNNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL618081 0.76 KMT2A (0.37) FYNNPC1RAB9ASMN1; SMN2SYK
SCHEMBL1168409 0.72 KMT2A (0.37) FYNNPC1RAB9ASMN1; SMN2SYK
SCHEMBL1168072 0.72 KMT2A (0.38) FYNNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10189256 0.70 FYN (0.33) FYNNPC1RAB9ASMN1; SMN2KMT2A
Isothiazole SCHEMBL3987853 0.70 TUBB4A (0.34) FYNSMN1; SMN2KDM4EALDH1A1HPGD
Isothiazole SCHEMBL3981927 0.69 NEK2 (0.38) SMN1; SMN2KMT2AMEN1MAPTKDM4E
Isothiazole SCHEMBL3981672 0.68 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL412031 0.68 SMN1; SMN2 (0.42) FYNNPC1RAB9ASMN1; SMN2KMT2A

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