SCHEMBL7966147

SCHEMBL7966147

O=C1COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)c([N+](=O)[O-])c2N1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR3C2 P08235 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
SCHEMBL7954932 0.82 ALDH1A1 (0.34) MAPTNPSR1NR3C2
SCHEMBL7967889 0.78
SCHEMBL7968012 0.71 TP53 (0.42) MAPTNPSR1NR3C2
SCHEMBL7966366 0.70
SCHEMBL9599303 0.69 NR3C2 (0.38) NPSR1NR3C2
SCHEMBL6530799 0.68 POLB (0.39) MAPTMAPK1NR3C2
SCHEMBL8302818 0.65 NR3C2 (0.43) MAPTNR3C2
SCHEMBL7965147 0.64 CYP11B1 (0.31)
SCHEMBL11716549 0.64 GRM7 (0.34)
SCHEMBL8917238 0.63 NR3C2 (0.44) MAPTMAPK1RAB9ANPSR1NR3C2

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-6294503-B1 HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-09-25 US disclosed