SCHEMBL6599147

SCHEMBL6599147

Cc1cc(S(C)(=O)=O)ccc1C(=O)c1c([S+](C)[O-])noc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
HTT P42858 1/20 0.32
PTGS2 P35354 5/20 0.31
FASN P49327 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
KIF18A Q8NI77 1/20 0.30
GPR6 P46095 1/20 0.30
BRD4 O60885 1/20 0.30
PTGS1 P23219 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6599094 0.85 NPC1 (0.36) NPC1HTTPTGS2KMT2ACCNE1
SCHEMBL6600395 0.82 NPC1 (0.34) NPC1HTTPTGS2CCNE1CDK2
SCHEMBL7083430 0.79 CACNA1B (0.40) MEN1KMT2A
SCHEMBL8490493 0.79 ALDH1A1 (0.36) HTTPTGS2POLB
SCHEMBL6429850 0.77 LMNA (0.36) NPC1RAB9A
SCHEMBL8683983 0.77 DHODH (0.36) NPC1KMT2ACCNE1CDK2KIF18A
SCHEMBL6594174 0.73 NPC1 (0.40) NPC1MEN1KMT2AGPR6RAB9A
SCHEMBL8763742 0.72 NR1H4 (0.36) NPC1KIF18A
SCHEMBL8762509 0.72 LMNA (0.34) NPC1PTGS2KIF18A
SCHEMBL8492339 0.72 NPC1 (0.39) NPC1MEN1KMT2AGPR6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901479-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-11 EP claimed
US-6297198-B1 COMPOUNDS WITH SULFUR GROUPS ON ISOXAZOLE RINGS AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-10-02 US claimed
EP-0901479-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 1999-03-17 EP claimed
WO-1997043270-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1997-11-20 WO claimed
EP-0901479-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-11 EP disclosed
US-6297198-B1 COMPOUNDS WITH SULFUR GROUPS ON ISOXAZOLE RINGS AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-10-02 US disclosed
EP-0901479-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 1999-03-17 EP disclosed
WO-1997043270-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1997-11-20 WO disclosed