SCHEMBL3434352

SCHEMBL3434352

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PGR P06401 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRNA7 P36544 2/20 0.35
GRM5 P41594 1/20 0.35
KDR P35968 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3433370 0.90 ALDH1A1 (0.41) RXRARXRBRXRGPGRPTGS1
SCHEMBL3434799 0.90 RPA1 (0.42) RPA1RXRARXRBRXRGRXFP1
SCHEMBL3434328 0.90 PGR (0.38) RPA1RXRARXRBRXRGPGR
SCHEMBL3427741 0.89 RXFP1 (0.41) RPA1RXRARXRBRXRGRXFP1
SCHEMBL3434938 0.87 RPA1 (0.45) RPA1RXRARXRBRXRGPTGS1
SCHEMBL3430605 0.87 RXFP1 (0.43) RPA1RXFP1BRD9POLBMAPK1
SCHEMBL3429822 0.86 RXFP1 (0.39) RPA1RXRARXRBRXRGRXFP1
SCHEMBL3434266 0.86 PGR (0.39) PGRPTGS1PTGS2ALDH1A1CHRNA7
SCHEMBL3427610 0.86 RPA1 (0.45) RPA1RXFP1BRD9PTGS2POLB
SCHEMBL3429460 0.86 RPA1 (0.41) RPA1RXRARXRBRXRGRXFP1

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