SCHEMBL6599094

SCHEMBL6599094

Cc1cc(S(C)(=O)=O)ccc1C(=O)c1c(S(C)(=O)=O)noc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
KIF18A Q8NI77 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL6594174 0.88 NPC1 (0.40) NPC1RAB9ALMNADRD3DPP4
SCHEMBL6600395 0.86 NPC1 (0.34) NPC1PTGS2PTGS1CCNE1CDK2
SCHEMBL6599147 0.85 NPC1 (0.34) NPC1PTGS2PTGS1CCNE1CDK2
SCHEMBL8490493 0.82 ALDH1A1 (0.36) PTGS2POLBHTTLMNA
SCHEMBL8683983 0.80 DHODH (0.36) NPC1CCNE1CDK2KIF18ATDP1
SCHEMBL7454528 0.76 GPBAR1 (0.34) DPP4DPP7
SCHEMBL8492339 0.75 NPC1 (0.39) NPC1RAB9ALMNADRD3DPP4
SCHEMBL8763742 0.75 NR1H4 (0.36) NPC1KIF18ALMNADPP4DPP7
SCHEMBL8762509 0.75 LMNA (0.34) NPC1PTGS2KIF18ACNR2LMNA
SCHEMBL8762846 0.75 LMNA (0.42) NPC1RAB9ALMNADPP4DPP7

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