SCHEMBL3429253

SCHEMBL3429253

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 9/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PPP1CA P62136 1/20 0.39
MARS1 P56192 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KDR P35968 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
POLB P06746 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3427714 0.89 RPA1 (0.43) RPA1MEN1KMT2AATMRXRA
SCHEMBL3427568 0.87 RPA1 (0.46) RPA1MEN1KMT2AATMRXRA
SCHEMBL3427858 0.87 PPP1CA (0.48) RPA1MEN1KMT2AATMPPP1CA
SCHEMBL3431022 0.86 RPA1 (0.47) RPA1MEN1KMT2AATMPPP1CA
SCHEMBL3434938 0.86 RPA1 (0.45) RPA1MEN1KMT2AATMRXRA
SCHEMBL14995442 0.85 RPA1 (0.40) RPA1MEN1KMT2AATMRXRA
SCHEMBL1765503 0.84 RPA1 (0.61) RPA1MEN1KMT2AATMPPP1CA
SCHEMBL14995459 0.82 RPA1 (0.41) RPA1MEN1KMT2AATMRXRA
SCHEMBL3428855 0.81 PPP1CA (0.50) MEN1KMT2AATMRXRARXRB
SCHEMBL14995472 0.81 PTGS2 (0.43) RPA1MEN1KMT2AATMPPP1CA

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