SCHEMBL9958882

SCHEMBL9958882

CCCCNC(=O)C1C(=O)N(OCc2ccccc2)C(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KCNA5 P22460 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ASAH1 Q13510 1/20 0.40
FFAR1 O14842 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
SCHEMBL10154063 0.97 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL10153579 0.96 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL9959738 0.96 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL9959019 0.96 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL10153642 0.94 KCNA5 (0.42) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL9959312 0.90 DRD2 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9959313 0.86 KCNA5 (0.48) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL10153971 0.84 POLB (0.50) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL9959297 0.83 HDAC4 (0.49) KMT2AMAPTALDH1A1MEN1KCNA5
SCHEMBL10153600 0.83 MAPT (0.44) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1

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