SCHEMBL8889370

SCHEMBL8889370

CC[S+]([O-])c1ccccc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.32
PDE2A O00408 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
DHODH Q02127 3/20 0.32
EPHX2 P34913 1/20 0.30
PIK3CD O00329 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
SCHEMBL8890261 0.90 DHODH (0.33) NAMPTPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891217 0.90 DHODH (0.34) NAMPTPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891781 0.86 DHODH (0.36) NAMPTPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891112 0.84 TAS1R3 (0.35) NAMPTPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7575051 0.83 DHODH (0.34) NAMPTPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8892991 0.82 NPC1 (0.38) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891280 0.82 CYP19A1 (0.33) NAMPTPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8899416 0.82 DHODH (0.32) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8892498 0.82 PTGDR2 (0.33) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891163 0.82 PDE2A (0.33) PDE2ATAS1R3TAS1R1TAS1R2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed