SCHEMBL3428197

SCHEMBL3428197

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.52
▸ RXRB P28702 1/20 0.52
▸ RXRG P48443 1/20 0.52
▸ PTGS2 P35354 3/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC5A1 P13866 7/20 0.45
▸ SLC16A3 O15427 2/20 0.44
▸ SLC16A1 P53985 2/20 0.44
▸ RPA1 P27694 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MCTS1 Q9ULC4 1/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK5 Q00535 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
SCHEMBL1110794 0.91 PPP1CA (0.46) RXRARXRBRXRGPTGS2SLC5A1
SCHEMBL3426741 0.90 SLC5A1 (0.52) PTGS2SLC5A1MEN1KMT2AEPHX2
SCHEMBL3430065 0.90 RPA1 (0.44) RXRARXRBRXRGPTGS2SLC5A1
SCHEMBL1110619 0.89 SLC5A1 (0.52) PTGS2PTGS1SLC5A1RPA1MEN1
SCHEMBL3427747 0.88 KMT2A (0.49) RXRARXRBRXRGPTGS2SLC5A1
SCHEMBL3430698 0.86 PPP1CA (0.52) RXRARXRBRXRGSLC16A3SLC16A1
SCHEMBL3431433 0.86 RXRA (0.47) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL3428213 0.85 MEN1 (0.51) RXRARXRBRXRGPTGS2SLC16A3
SCHEMBL7156590 0.85 MALT1 (0.58) SLC16A3SLC16A1RPA1SMN1; SMN2MALT1
SCHEMBL3429834 0.83 RXRA (0.50) RXRARXRBRXRGPTGS2SLC16A3

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
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