SCHEMBL8747772

SCHEMBL8747772

CNS(C)(=O)=O.CSc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PDE2A O00408 1/20 0.33
DHODH Q02127 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
CRACR2A Q9BSW2 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
SCHEMBL8492889 0.92 PDE2A (0.36) NPC1RAB9APDE2ADHODHMEN1
SCHEMBL8747828 0.86 NPC1 (0.34) NPC1RAB9APDE2ADHODHMEN1
SCHEMBL8752743 0.83 DHODH (0.36) NPC1RAB9APDE2ADHODHMEN1
SCHEMBL8492504 0.82 DHODH (0.35) RAB9APDE2ADHODHMEN1KMT2A
SCHEMBL8752755 0.82 DHODH (0.32) NPC1PDE2ADHODHMEN1KMT2A
SCHEMBL8489281 0.81 DHODH (0.33) RAB9APDE2ADHODHMEN1KMT2A
SCHEMBL8605928 0.81 DHODH (0.36) RAB9APDE2ADHODHTAS1R3TAS1R1
SCHEMBL8488330 0.80 PDE2A (0.36) NPC1RAB9APDE2ADHODHMEN1
SCHEMBL8492849 0.80 DHODH (0.36) RAB9APDE2ADHODHMEN1KMT2A
SCHEMBL8489274 0.80 DHODH (0.35) RAB9APDE2ADHODHTAS1R3TAS1R1

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