SCHEMBL6068261

SCHEMBL6068261

COC(=O)c1ccc(OC(F)F)c2ncccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
PSMD14 O00487 1/20 0.50
MAP2K1 Q02750 1/20 0.47
SLC40A1 Q9NP59 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
TET3 O43151 1/20 0.40
KDM4B O94953 1/20 0.40

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
SCHEMBL30745021 0.88 KDM4E (0.70) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL4700871 0.85 KDM4E (0.57) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL20952065 0.85 KDM4E (0.77) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL4700662 0.84 KDM4E (0.47) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL23489312 0.81 KDM4E (1.00) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL16131033 0.81 KDM4E (0.71) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL6068483 0.81 KDM4E (0.66) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL23233760 0.81 KDM4E (0.67) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL20963907 0.79 KDM4E (0.64) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL6068105 0.77 KDM4E (1.00) KDM4EPSMD14MAP2K1ALOX12KDM4A

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
US-7030063-B1 Cyclohexenonquinolinoyl-derivatives as herbicidal agents BASF AKTIENGESELLSCHAFT (DE) 2006-04-18 US disclosed