SCHEMBL11713601

SCHEMBL11713601

CCn1c(=O)c2cc(C(F)(F)C(O)(F)C(F)(F)F)ccc2n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.54
RORA P35398 14/20 0.49
RORC P51449 14/20 0.49
RORB Q92753 14/20 0.49
NR1H3 Q13133 1/20 0.48
PARG Q86W56 1/20 0.44
NR1H2 P55055 1/20 0.42
GRM2 Q14416 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
SCHEMBL11713896 0.88 PGR (0.52) PGRRORARORCRORBNR1H3
SCHEMBL11713598 0.88 PGR (0.66) PGRRORARORCRORBNR1H3
SCHEMBL11713888 0.83 PGR (0.58) PGRRORARORCRORBNR1H3
SCHEMBL6363131 0.71 MAPK8 (0.64) PGRRORARORCRORB
SCHEMBL22016212 0.70 PARG (0.50) PARG
SCHEMBL17242025 0.68 PARG (0.48) RORARORCRORBPARG
SCHEMBL10084702 0.66 TP53 (0.59) RORARORCRORBPARG
SCHEMBL14934089 0.65 HDAC1 (0.42) PGRNR1H3PARG
SCHEMBL21024140 0.65 HPD (0.47) PGRRORARORCRORBGRM2
SCHEMBL21024141 0.65 GRM2 (0.48) PGRRORARORCRORBPARG

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-4058612-A HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 1977-11-15 US disclosed