SCHEMBL9603358

SCHEMBL9603358

O=C1COc2cc(F)c(-n3ccc(C(F)(F)F)cc3=O)cc2N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
KMT2A Q03164 2/20 0.43
NR3C2 P08235 8/20 0.42
MCL1 Q07820 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
POLB P06746 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
OPRK1 P41145 1/20 0.39
MMP12 P39900 1/20 0.39
NR3C1 P04150 2/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7563867 0.73 NR3C2 (0.39) KIF11NR3C2POLBMMP12NR3C1
SCHEMBL30016963 0.73 KIF11 (0.67) KIF11KMT2ANR3C2MCL1POLB
SCHEMBL17027197 0.73 KIF11 (0.67) KIF11KMT2ANR3C2MCL1POLB
SCHEMBL3110112 0.73 MMP12 (0.59) KIF11KMT2ANR3C2MCL1RAF1
SCHEMBL9727556 0.73 BCAT1 (0.45) KIF11NR3C2POLBNR3C1PGR
SCHEMBL9597908 0.72 TP53 (0.36) ALDH1A1
SCHEMBL8960181 0.72 NR3C2 (0.39) KIF11KMT2ANR3C2MCL1POLB
SCHEMBL6617682 0.71 NR3C2 (0.39) KIF11KMT2ANR3C2RAF1BRAF
SCHEMBL4049030 0.71 MMP12 (0.54) KMT2ANR3C2TRPV1MMP12PGR
SCHEMBL7556723 0.70 MMP12 (0.46) KMT2ANR3C2MMP12NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238906-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US disclosed
EP-0488220-A2 Pyridone derivatives, and their production and use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-06-03 EP disclosed