SCHEMBL7951701

SCHEMBL7951701

CC(C)OC(=O)C=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
AKR1B10 O60218 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1B1 P15121 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL7951700 1.00 XPO1 (0.33) XPO1KDM4EGLAMAPTHTT
SCHEMBL7951761 0.88 PKM (0.35) MAPTRECQLSMN1; SMN2CA12CA1
SCHEMBL7951759 0.88 PKM (0.35) MAPTRECQLSMN1; SMN2CA12CA1
SCHEMBL7955801 0.87 APP (0.33)
SCHEMBL7955799 0.87 APP (0.33)
SCHEMBL10698389 0.87 CYP1A2 (0.33) SMN1; SMN2
SCHEMBL10420545 0.85 PTGDR (0.37) XPO1KDM4EGLAMAPTHTT
SCHEMBL10420546 0.85 PTGDR (0.37) XPO1KDM4EGLAMAPTHTT
SCHEMBL2966474 0.82 LMNA (0.33) MAPTSMN1; SMN2
SCHEMBL30084589 0.80

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
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US claimed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP claimed
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US disclosed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP disclosed
US-4979982-A Herbicidal cinnamic ester uracils UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-12-25 US disclosed