SCHEMBL7817153

SCHEMBL7817153

CCn1cc(C(=O)c2cnoc2C2CC2)c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
KLKB1 P03952 8/20 0.37
CRACR2A Q9BSW2 2/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
WDR5 P61964 3/20 0.34
PDE2A O00408 1/20 0.34
EPHX2 P34913 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL27513121 0.75 DHODH (0.46) DHODHCRACR2APDE2AEPHX2
SCHEMBL7821033 0.74 DHODH (0.38) DHODHCRACR2APDE2AEPHX2
SCHEMBL9117428 0.73 WDR5 (0.39) CRACR2APDK1PDK2WDR5IRAK4
SCHEMBL18053852 0.72 DHODH (0.50) DHODHCRACR2A
SCHEMBL1194806 0.72 DGAT1 (0.41) KLKB1
SCHEMBL17067013 0.70 L3MBTL1 (0.40) KLKB1PDK2
SCHEMBL5212788 0.70 LMNA (0.41) KLKB1
SCHEMBL7807338 0.70 IRAK4 (0.35) KLKB1WDR5IRAK4
SCHEMBL8488832 0.69 DHODH (0.46) DHODH
SCHEMBL8607848 0.69 DHODH (0.44) DHODHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP claimed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP claimed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
US-5480857-A Herbicidal 4-heteroaroylisoxazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-01-02 US disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed