SCHEMBL9952811

SCHEMBL9952811

COc1ccc(NC(=O)C2C(=O)N(O)C(=O)c3ccccc32)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.51
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
GRM4 Q14833 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL9951942 0.83 MAPT (0.47) MALT1MAPTPOLBALDH1A1LMNA
SCHEMBL31653962 0.78 MEN1 (0.47) POLBLMNAL3MBTL1GAAMEN1
SCHEMBL10153609 0.78 MEN1 (0.47) POLBLMNAL3MBTL1GAAMEN1
SCHEMBL9958675 0.76 KMT2A (0.50) MAPTPOLBALDH1A1LMNAL3MBTL1
SCHEMBL9958635 0.76 ALDH1A1 (0.50) POLBALDH1A1LMNAL3MBTL1MEN1
SCHEMBL9959487 0.76 HTT (0.43) MAPTPOLBALDH1A1GLAGAA
SCHEMBL14730468 0.74 MALT1 (0.48) MALT1MAPTALDH1A1LMNAGFER
SCHEMBL19380274 0.73 HDAC4 (0.44) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL19380301 0.73 HDAC3 (0.40) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL10153606 0.72 KCNA5 (0.48) MAPTPOLBLMNAL3MBTL1GAA

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 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