SCHEMBL8487377

SCHEMBL8487377

O=C1COc2cc(C(F)(F)F)c(F)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.46
MMP12 P39900 1/20 0.46
KIF11 P52732 1/20 0.46
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PGR P06401 1/20 0.40
MCL1 Q07820 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL4049030 0.83 MMP12 (0.54) NR3C2MMP12PARP1ALDH1A1KMT2A
SCHEMBL8490632 0.81 NR3C2 (0.35) NR3C2MMP12KIF11POLBPGR
SCHEMBL27432533 0.78 MMP12 (0.49) NR3C2MMP12PARP1ALDH1A1KMT2A
SCHEMBL5914785 0.78 NR3C2 (0.51) NR3C2MMP12PARP1ALDH1A1KMT2A
SCHEMBL2945841 0.77 MMP12 (0.46) NR3C2MMP12KIF11POLBPARP1
SCHEMBL31451484 0.76 KIF11 (0.42) NR3C2MMP12KIF11POLBPARP1
SCHEMBL6364661 0.76 MMP12 (0.54) MMP12POLBPARP1ALDH1A1KMT2A
SCHEMBL23830531 0.74 MMP12 (0.49) NR3C2MMP12PARP1ALDH1A1KMT2A
SCHEMBL12060295 0.74 TP53 (0.57) NR3C2MMP12POLBPARP1KMT2A
SCHEMBL8192799 0.74 NR3C2 (0.51) NR3C2MMP12PARP1ALDH1A1KMT2A

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
EP-0913395-A1 N-PHENYLCARBAMATE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDES UBE INDUSTRIES, LTD. (JP) 1999-05-06 EP claimed