SCHEMBL3435607

SCHEMBL3435607

CCOC(=O)Oc1cc(-c2cc(F)cc(Cl)c2)n(-c2ccc(F)c(C#N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.38
RXRB P28702 6/20 0.38
RXRG P48443 6/20 0.38
XPO1 O14980 1/20 0.38
AR P10275 4/20 0.36
CHRNA7 P36544 2/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL3434328 0.91 PGR (0.38) RXRARXRBRXRGARCHRNA7
SCHEMBL3434918 0.89 ALDH1A1 (0.40) RXRARXRBRXRGXPO1CHRNA7
SCHEMBL3434224 0.87 RXRA (0.42) RXRARXRBRXRGARMEN1
SCHEMBL3434336 0.87 RXRA (0.40) RXRARXRBRXRGXPO1KDM4E
SCHEMBL1765056 0.85 CHRNA7 (0.50) RXRARXRBRXRGXPO1CHRNA7
SCHEMBL3431428 0.85 RXRA (0.47) RXRARXRBRXRGXPO1CHRNA7
SCHEMBL3434352 0.85 RPA1 (0.39) RXRARXRBRXRGCHRNA7KDM4E
SCHEMBL3433402 0.85 CNR2 (0.38) KDM4EALDH1A1FAAH
SCHEMBL3427741 0.82 RXFP1 (0.41) RXRARXRBRXRGCHRNA7MAPK1
SCHEMBL3433370 0.82 ALDH1A1 (0.41) RXRARXRBRXRGCHRNA7KDM4E

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