SCHEMBL4668689

SCHEMBL4668689

CN(C(=O)c1cccc(F)c1Cl)C(=O)N(C)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RORC P51449 3/20 0.32
DHODH Q02127 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
SCHEMBL4157262 0.87 ALDH1A1 (0.34) GPBAR1RORC
SCHEMBL4149344 0.86 RORC (0.43) RORC
SCHEMBL4636412 0.84 CES2 (0.34) GPBAR1RORC
SCHEMBL4636710 0.83 CYP11B1 (0.33) CYP11B1GPBAR1CYP11B2DHODH
SCHEMBL4158854 0.80 RORC (0.35) GPBAR1RORC
SCHEMBL4636222 0.79 CES2 (0.35) GPBAR1RORCDHODH
SCHEMBL4164252 0.76 RORC (0.40) RORC
SCHEMBL4154435 0.76 RORC (0.36) GPBAR1RORC
SCHEMBL4162997 0.76 RORC (0.46) RORC
SCHEMBL4636754 0.75 ALDH1A1 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937629-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO disclosed