SCHEMBL9959490

SCHEMBL9959490

Nc1ccc2c(c1)C(=O)N(O)C(=O)C2C(=O)NCc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.42
WDR77 Q9BQA1 6/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL30675135 0.91 PRMT5 (0.47) PRMT5WDR77POLBALDH1A1LMNA
SCHEMBL29411937 0.87 CNR1 (0.45) PRMT5WDR77POLBALDH1A1
SCHEMBL9959238 0.87 ALDH1A1 (0.41) PRMT5WDR77POLBALDH1A1LMNA
SCHEMBL30499662 0.87 ALDH1A1 (0.41) PRMT5WDR77POLBALDH1A1LMNA
SCHEMBL9958767 0.87 CNR1 (0.45) PRMT5WDR77POLBALDH1A1
SCHEMBL29696849 0.85 NPC1 (0.47) PRMT5WDR77POLBALDH1A1LMNA
SCHEMBL9958658 0.84 PRMT5 (0.51) PRMT5WDR77POLBALDH1A1LMNA
SCHEMBL9953409 0.84 POLB (0.50) PRMT5WDR77POLBALDH1A1SMN1; SMN2
SCHEMBL9958833 0.83 ALDH1A1 (0.42) PRMT5WDR77POLBALDH1A1SMN1; SMN2
SCHEMBL9959773 0.83 GAA (0.47) PRMT5WDR77ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO claimed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed