SCHEMBL3428213

SCHEMBL3428213

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RPA1 P27694 2/20 0.47
▸ MALT1 Q9UDY8 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SLC16A3 O15427 2/20 0.44
▸ SLC16A1 P53985 2/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ PPP1CA P62136 3/20 0.44
▸ MCTS1 Q9ULC4 1/20 0.44
▸ FABP3 P05413 2/20 0.44
▸ FABP4 P15090 2/20 0.44
▸ SMPD1 P17405 1/20 0.42
▸ RXRA P19793 2/20 0.42
▸ RXRB P28702 2/20 0.42
▸ RXRG P48443 2/20 0.42
▸ FAAH O00519 1/20 0.41

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
SCHEMBL3430105 0.92 KMT2A (0.54) MEN1KMT2AATMRPA1PTGS2
SCHEMBL3431022 0.90 RPA1 (0.47) MEN1KMT2AATMRPA1PTGS2
SCHEMBL3430698 0.89 PPP1CA (0.52) MEN1KMT2AATMSMN1; SMN2RPA1
SCHEMBL3431908 0.88 KMT2A (0.51) MEN1KMT2AATMSMN1; SMN2RPA1
SCHEMBL7156590 0.88 MALT1 (0.58) MEN1KMT2AATMSMN1; SMN2RPA1
SCHEMBL3428197 0.85 RXRA (0.52) MEN1KMT2AATMSMN1; SMN2RPA1
SCHEMBL3431896 0.85 FAAH (0.47) MEN1KMT2AATMSMN1; SMN2RPA1
SCHEMBL3428855 0.82 PPP1CA (0.50) MEN1KMT2AATML3MBTL1SLC16A3
SCHEMBL6053701 0.82 RPA1 (0.57) MEN1KMT2AATMSMN1; SMN2RPA1
SCHEMBL1765048 0.82 KMT2A (0.75) MEN1KMT2AATMSMN1; SMN2RPA1

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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