SCHEMBL9953409

SCHEMBL9953409

O=C(NCc1ccc(F)cc1)C1C(=O)N(O)C(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PRMT5 O14744 5/20 0.47
WDR77 Q9BQA1 5/20 0.47
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.45
KCNA5 P22460 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL9953442 0.90 KCNA5 (0.53) POLBALDH1A1KCNA5SMN1; SMN2
SCHEMBL10153729 0.88 MAPT (0.46) POLBALDH1A1RAB9AKCNA5TSHR
SCHEMBL30675135 0.88 PRMT5 (0.47) POLBPRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL10154090 0.88 KCNA5 (0.47) ALDH1A1RAB9AKCNA5SMN1; SMN2
SCHEMBL10153615 0.85 SCN9A (0.54) POLBALDH1A1RAB9AKCNA5SMN1; SMN2
SCHEMBL9959336 0.84 RAB9A (0.42) POLBPRMT5WDR77ALDH1A1RAB9A
SCHEMBL9959490 0.84 PRMT5 (0.42) POLBPRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL29411937 0.84 CNR1 (0.45) POLBPRMT5WDR77ALDH1A1RAB9A
SCHEMBL9959238 0.84 ALDH1A1 (0.41) POLBPRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL30499662 0.84 ALDH1A1 (0.41) POLBPRMT5WDR77ALDH1A1SMN1; SMN2

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