SCHEMBL27293235

SCHEMBL27293235

C[S+]([O-])Cc1ccc(C(=O)c2cnoc2C2CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
NAMPT P43490 1/20 0.33
PDE2A O00408 1/20 0.33
EPHX2 P34913 2/20 0.33
CRACR2A Q9BSW2 2/20 0.32

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
SCHEMBL27392041 0.89 DHODH (0.34) DHODHNAMPTPDE2AEPHX2
SCHEMBL7575665 0.87 NAMPT (0.35) DHODHNAMPTPDE2AEPHX2
SCHEMBL7575705 0.87 NAMPT (0.33) DHODHNAMPTPDE2AEPHX2
SCHEMBL27289386 0.87 NAMPT (0.33) DHODHNAMPTPDE2AEPHX2
SCHEMBL7574673 0.85 NAMPT (0.32) DHODHNAMPTPDE2AEPHX2
SCHEMBL9115628 0.85 DHODH (0.35) DHODHNAMPTPDE2AEPHX2CRACR2A
SCHEMBL27285278 0.83 DHODH (0.35) DHODHNAMPTPDE2AEPHX2CRACR2A
SCHEMBL7574021 0.82 DHODH (0.36) DHODHNAMPTPDE2AEPHX2CRACR2A
SCHEMBL7575958 0.81 DHODH (0.35) DHODHCRACR2A
SCHEMBL7573455 0.81 DHODH (0.34) DHODHNAMPTPDE2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN claimed
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN claimed
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN disclosed