SCHEMBL17844234

SCHEMBL17844234

CC(C)(C)N1C(=O)C(NCCOc2[c]cccc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL2000830 0.85 NR1H2 (0.49) NR1H2NR1H3CA12CA2CA9
SCHEMBL2000304 0.82 NR1H2 (0.48) NR1H2NR1H3CA12CA2CA9
SCHEMBL1999381 0.80 NR1H2 (0.45) NR1H2NR1H3CA12CA2CA9
SCHEMBL2002953 0.79 NR1H2 (0.47) NR1H2NR1H3CA12CA2CA9
SCHEMBL2000018 0.78 NR1H2 (0.45) NR1H2NR1H3CA12CA2CA9
SCHEMBL1999973 0.78 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL1998235 0.78 NR1H2 (0.51) NR1H2NR1H3CA12CA2CA9
SCHEMBL2004213 0.78 NR1H2 (0.43) NR1H2NR1H3CA12CA2CA9
SCHEMBL1999833 0.78 NR1H2 (0.43) NR1H2NR1H3CA12CA2CA9
SCHEMBL2002288 0.78 CHRNB2 (0.44) NR1H2NR1H3

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed