SCHEMBL8890261

SCHEMBL8890261

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
PDE2A O00408 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NAMPT P43490 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8891112 0.93 TAS1R3 (0.35) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8892498 0.91 PTGDR2 (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891280 0.91 CYP19A1 (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8899416 0.91 DHODH (0.32) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891163 0.91 PDE2A (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8889370 0.90 NAMPT (0.32) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891528 0.90 PTGDR2 (0.36) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8892828 0.90 DHODH (0.32) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8890011 0.90 PDE2A (0.31) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8493685 0.90 DHODH (0.36) DHODHPDE2ATAS1R3TAS1R1TAS1R2

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