SCHEMBL6594174

SCHEMBL6594174

CS(=O)(=O)c1ccc(C(=O)c2c(S(C)(=O)=O)noc2C2CC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GPR6 P46095 1/20 0.39
MAPT P10636 3/20 0.39
PAK1 Q13153 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

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 0.88 NPC1 (0.36) NPC1LMNARAB9AKMT2ADPP4
SCHEMBL8762846 0.87 LMNA (0.42) NPC1GPR6MAPTPAK1LMNA
SCHEMBL8492339 0.87 NPC1 (0.39) NPC1GPR6MAPTPAK1LMNA
SCHEMBL6595018 0.86 NPC1 (0.38) NPC1GPR6MAPTPAK1LMNA
SCHEMBL8492902 0.86 NPC1 (0.38) NPC1GPR6MAPTPAK1LMNA
SCHEMBL8492665 0.85 NPC1 (0.38) NPC1GPR6MAPTPAK1LMNA
SCHEMBL8494679 0.85 NR1H4 (0.40) NPC1GPR6MAPTPAK1LMNA
SCHEMBL8492287 0.82 DPP4 (0.36) NPC1GPR6MAPTGAARAB9A
SCHEMBL8489321 0.82 GLP1R (0.39) NPC1GPR6MAPTMEN1KMT2A
SCHEMBL2778848 0.81 PAK1 (0.42) NPC1GPR6MAPTPAK1LMNA

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