SCHEMBL8891649

SCHEMBL8891649

Cc1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccccc2C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
DHODH Q02127 1/20 0.37
EPHX2 P34913 8/20 0.36
CYP2C9 P11712 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL8891081 0.90 DHODH (0.41) SLC6A2SLC6A4DHODHEPHX2ATM
SCHEMBL8891645 0.87 SLC6A2 (0.36) SLC6A2SLC6A4DHODHEPHX2CYP2C9
SCHEMBL8898866 0.87 SLC6A2 (0.35) SLC6A2SLC6A4DHODHEPHX2CYP2C9
SCHEMBL8890289 0.87 NR1H2 (0.38) SLC6A2SLC6A4DHODHCYP2C9SLC6A3
SCHEMBL8889692 0.86 ALDH1A1 (0.37) SLC6A2SLC6A4MEN1KMT2ANPSR1
SCHEMBL8891163 0.84 PDE2A (0.33) DHODHMEN1KMT2A
SCHEMBL8890367 0.83 NR3C1 (0.35) DHODHEPHX2MEN1KMT2AALDH1A1
SCHEMBL8891110 0.82 DHODH (0.43) SLC6A2DHODHCYP2C9KDM4EMEN1
SCHEMBL8893368 0.80 DHODH (0.36) SLC6A2SLC6A4DHODHEPHX2
SCHEMBL8891934 0.80 DHODH (0.41) SLC6A2SLC6A4DHODHCYP2C9MEN1

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