SCHEMBL9104632

SCHEMBL9104632

CCc1c(C(=O)N(NC(C)(C)C)C(=O)c2ccc(Cl)cc2F)ccc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
PDK2 Q15119 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
USP9X Q93008 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL17416611 0.87 NR1H2 (0.35) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL5057398 0.84 ABCB1 (0.44)
SCHEMBL9236827 0.78 CTNNB1 (0.48) NPC1RAB9AMEN1KMT2A
SCHEMBL9102042 0.78 PLK1 (0.38) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL9102918 0.73 HPGD (0.37) RXFP1
SCHEMBL9101070 0.72 HPGD (0.41) NR1H2NR1H3
SCHEMBL5053791 0.72 ABCB1 (0.39)
SCHEMBL5056861 0.71 HPGD (0.37) RXFP1
SCHEMBL5062182 0.71 HPGD (0.41) NR1H2NR1H3
SCHEMBL5058572 0.70 HPGD (0.40)

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-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed