SCHEMBL8891645

SCHEMBL8891645

CSc1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccccc2C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.36
SLC6A4 P31645 8/20 0.36
DHODH Q02127 1/20 0.35
KIF11 P52732 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 2/20 0.34
EPHX2 P34913 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SLC6A3 Q01959 1/20 0.32
HTT P42858 1/20 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
SCHEMBL8889689 0.89 HPGD (0.39) SLC6A2SLC6A4DHODHMEN1KMT2A
SCHEMBL8891649 0.87 SLC6A2 (0.37) SLC6A2SLC6A4DHODHMEN1KMT2A
SCHEMBL8891081 0.87 DHODH (0.41) SLC6A2SLC6A4DHODHEPHX2SLC6A3
SCHEMBL8889854 0.87 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1HPGDCASP3
SCHEMBL8891282 0.86 HPGD (0.36) MEN1KMT2AALDH1A1HPGDCASP3
SCHEMBL8893007 0.85 HPGD (0.36) MEN1KMT2AALDH1A1HPGDCASP3
SCHEMBL8898866 0.84 SLC6A2 (0.35) SLC6A2SLC6A4DHODHCYP2C9EPHX2
SCHEMBL8890289 0.84 NR1H2 (0.38) SLC6A2SLC6A4DHODHKIF11CYP2C9
SCHEMBL8893368 0.84 DHODH (0.36) SLC6A2SLC6A4DHODHEPHX2
SCHEMBL8488154 0.84 DHODH (0.44) SLC6A2DHODHMEN1KMT2ACYP2C9

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