SCHEMBL8747828

SCHEMBL8747828

CNS(C)(=O)=O.Cc1c(Cl)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
DHODH Q02127 3/20 0.33
PDE2A O00408 1/20 0.33
NAMPT P43490 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
EPHX2 P34913 1/20 0.31
CXCR2 P25025 1/20 0.31
LMNA P02545 1/20 0.31
CRACR2A Q9BSW2 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMURF2 Q9HAU4 1/20 0.30
SMURF1 Q9HCE7 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL8488330 0.95 PDE2A (0.36) NPC1RAB9ADHODHPDE2ANAMPT
SCHEMBL8747772 0.86 NPC1 (0.33) NPC1RAB9ADHODHPDE2AMEN1
SCHEMBL7924451 0.85 DHODH (0.34) NPC1DHODHPDE2ANAMPTMEN1
SCHEMBL9115094 0.84 DHODH (0.34) NPC1RAB9ADHODHPDE2ANAMPT
SCHEMBL8492875 0.83 DHODH (0.35) NPC1DHODHPDE2AMEN1KMT2A
SCHEMBL9116308 0.83 DHODH (0.33) NPC1DHODHPDE2ANAMPTMEN1
SCHEMBL8389669 0.83 DHODH (0.34) NPC1DHODHPDE2ANAMPTMEN1
SCHEMBL8489351 0.82 DHODH (0.36) NPC1DHODHMEN1KMT2AEPHX2
SCHEMBL8491946 0.81 DHODH (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8752755 0.81 DHODH (0.32) NPC1DHODHPDE2AMEN1KMT2A

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-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed