SCHEMBL3435904

SCHEMBL3435904

N#Cc1cc(F)cc(-c2cc(OC(=O)O)nn2-c2ccc(F)c(C#N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 2/20 0.38
▸ RXRG P48443 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ RPA1 P27694 1/20 0.37
▸ KDM1A O60341 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PPP1CA P62136 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ AR P10275 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL3434224 0.90 RXRA (0.42) RXRARXRBRXRGRPA1MEN1
SCHEMBL3434938 0.89 RPA1 (0.45) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL3434328 0.87 PGR (0.38) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL3434215 0.86 PGR (0.44) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL1765438 0.85 RPA1 (0.53) RPA1KDM1AMEN1KMT2AATM
SCHEMBL3434272 0.84 PPP1CA (0.41) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL1764882 0.79 CHRNA7 (0.50) RPA1KDM1APGR
SCHEMBL3435607 0.78 RXRA (0.38) RXRARXRBRXRGMEN1KMT2A
SCHEMBL3434352 0.77 RPA1 (0.39) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL3433402 0.76 CNR2 (0.38) RPA1CNR2

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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