SCHEMBL9959247

SCHEMBL9959247

COC(=O)C1C(=O)N(OCc2ccccc2)C(=O)c2cc(OC)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
PARK7 Q99497 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 1/20 0.40
PRNP P04156 1/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA9 Q16790 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL10153305 0.87 MEN1 (0.46) ALDH1A1POLBGAASMN1; SMN2MEN1
SCHEMBL9960564 0.87 TRPA1 (0.38) ALDH1A1PARK7ATMMEN1KMT2A
SCHEMBL10153698 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2GAAMEN1
SCHEMBL9958850 0.87 MEN1 (0.43) ALDH1A1POLBKCNA5KDM4EGAA
SCHEMBL9959325 0.85 APP (0.42) ALDH1A1ACHEHPGDHSD17B10MEN1
SCHEMBL10153594 0.85 ACHE (0.45) ALDH1A1ACHEKDM4ESMN1; SMN2MEN1
SCHEMBL9959556 0.83 PRMT5 (0.46) ALDH1A1POLBGAASMN1; SMN2MEN1
SCHEMBL10153293 0.83 ACHE (0.45) POLBACHEUSP2SMN1; SMN2MEN1
SCHEMBL9959735 0.82 KMT2A (0.33) ALDH1A1POLBACHESMN1; SMN2HSD17B10
SCHEMBL10153644 0.81 ALDH1A1 (0.42) ALDH1A1ACHEGAAHPGDSMN1; 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 2 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 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