SCHEMBL3426741

SCHEMBL3426741

O=C(O)Oc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 9/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
PTGS2 P35354 3/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPP1CA P62136 1/20 0.42

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
SCHEMBL1110619 0.90 SLC5A1 (0.52) SLC5A1MEN1KMT2APTGS2EPHX2
SCHEMBL29074651 0.90 SLC5A1 (0.51) SLC5A1MEN1KMT2ANR3C1PGR
SCHEMBL3428197 0.90 RXRA (0.52) SLC5A1MEN1KMT2APTGS2EPHX2
SCHEMBL3430105 0.87 KMT2A (0.54) SLC5A1MEN1KMT2APTGS2LMNA
SCHEMBL25396677 0.87 SLC5A1 (0.50) SLC5A1MEN1KMT2ANR3C1PGR
SCHEMBL3430065 0.86 RPA1 (0.44) SLC5A1KMT2APTGS2EPHX2
SCHEMBL1110794 0.86 PPP1CA (0.46) SLC5A1MEN1KMT2APTGS2PPP1CA
SCHEMBL3431585 0.86 SLC5A1 (0.48) SLC5A1MEN1KMT2ANR3C1PGR
SCHEMBL3431908 0.84 KMT2A (0.51) SLC5A1MEN1KMT2APTGS2ALDH1A1
SCHEMBL1110894 0.84 SLC16A3 (0.48) SLC5A1KMT2A

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-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 WO disclosed