SCHEMBL3431022

SCHEMBL3431022

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.47
PPP1CA P62136 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
PTGS2 P35354 2/20 0.40
MARS1 P56192 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDR P35968 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3428213 0.90 MEN1 (0.51) RPA1PPP1CAMEN1KMT2AATM
SCHEMBL3427858 0.90 PPP1CA (0.48) RPA1PPP1CAMEN1KMT2AATM
SCHEMBL3430065 0.88 RPA1 (0.44) RPA1KMT2APTGS2
SCHEMBL3430105 0.86 KMT2A (0.54) RPA1PPP1CAMEN1KMT2AATM
SCHEMBL14995442 0.86 RPA1 (0.40) RPA1PPP1CAMEN1KMT2AATM
SCHEMBL3429253 0.86 RPA1 (0.42) RPA1PPP1CAMEN1KMT2AATM
SCHEMBL3427714 0.86 RPA1 (0.43) RPA1PPP1CAMEN1KMT2AATM
SCHEMBL3427610 0.86 RPA1 (0.45) RPA1PTGS2ALDH1A1KDRRXFP1
SCHEMBL3425400 0.86 SLC5A1 (0.46) RPA1MARS1
SCHEMBL3434938 0.85 RPA1 (0.45) RPA1PPP1CAMEN1KMT2AATM

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