SCHEMBL16993894

SCHEMBL16993894

CCCOCCOc1cc(N)nc(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NCF1 P14598 13/20 0.39
▸ HSP90AA1 P07900 4/20 0.38
▸ HSP90AB1 P08238 2/20 0.37
▸ BACE1 P56817 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
SCHEMBL4264916 0.73 XDH (0.46) L3MBTL1NCF1
SCHEMBL13952547 0.68 XDH (0.51) L3MBTL1
SCHEMBL17281786 0.67 KDM4E (0.43) L3MBTL1
SCHEMBL19295640 0.65 RAB9A (0.47) NCF1
1,2-Dichlorobenzene SCHEMBL27546533 0.64 LMNA (0.50) L3MBTL1
SCHEMBL26236027 0.64 MAPT (0.42) L3MBTL1
SCHEMBL11522755 0.63 APP (0.57) L3MBTL1
SCHEMBL12703813 0.63 LTA4H (0.44) —
SCHEMBL12012137 0.63 APP (0.57) L3MBTL1
SCHEMBL12012139 0.63 APP (0.57) L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015118110-A1 PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) 2015-08-13 — — WO disclosed
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