SCHEMBL19687742

SCHEMBL19687742

CC(C)(C)OC(=O)n1c(C#N)cc2ccc(CBr)cc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.47
NR1H3 Q13133 3/20 0.46
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CCR9 P51686 1/20 0.34

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
SCHEMBL16030138 0.91 NR1H2 (0.47) NR1H2NR1H3CA12CA9
SCHEMBL14816842 0.84 NR1H2 (0.45) NR1H2NR1H3CA12CA9CCR9
SCHEMBL16090787 0.80 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL5677101 0.80 NR1H2 (0.59) NR1H2NR1H3CA12CA9
SCHEMBL16090764 0.80 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL29964960 0.79 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL17078987 0.79 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL31519287 0.78 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL16030649 0.78 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL16090783 0.77 NR1H2 (0.40) NR1H2NR1H3CA12CA9

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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed