SCHEMBL16974872

SCHEMBL16974872

CC(NC1=NSc2cc(F)ccc2N1)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 11/20 0.36
MAPT P10636 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LATS1 O95835 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32

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
SCHEMBL16974839 0.90 KMT2A (0.39) KMT2AHSD17B10MAPKAPK2GAAGPR55
SCHEMBL16974914 0.86 GAA (0.38) KMT2AHSD17B10MAPKAPK2GAAGPR55
SCHEMBL16974853 0.86 GPR55 (0.43) KMT2AGPR55NOX1
SCHEMBL16974900 0.85 GAA (0.38) KMT2AGAAHDAC4HDAC1HDAC6
SCHEMBL8582685 0.83 NOX1 (0.40) NOX1
SCHEMBL16974885 0.81 GAA (0.38) KMT2AGAAHDAC4HDAC1HDAC6
SCHEMBL8585922 0.81 NOX1 (0.38) NOX1
SCHEMBL8586570 0.79 NOX1 (0.36) HSD17B10NOX1
SCHEMBL16974879 0.78 GAA (0.38) KMT2AGAANOX1HDAC1HDAC6
SCHEMBL8585872 0.77 NOX1 (0.44) MAPTNOX1

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
EP-3099304-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA Mayo Foundation for Medical Education and Research (US) 2016-12-07 EP disclosed
WO-2015117024-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-08-06 WO disclosed