SCHEMBL17396406

SCHEMBL17396406

O=C1NCc2cnc(Cl)nc2NC1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.39
GHSR Q92847 5/20 0.38
F2 P00734 4/20 0.37
PRSS1 P07477 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PLAT P00750 2/20 0.35
CTSD P07339 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
TACR2 P21452 2/20 0.35

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
SCHEMBL17396412 0.81 GSK3B (0.53) TACR2
SCHEMBL17396441 0.80 NOS1 (0.35)
SCHEMBL17396400 0.74 STAT6 (0.54)
SCHEMBL1673516 0.72 HDAC8 (0.57) HDAC8GHSRHRH3CTSDITGB3
SCHEMBL1598687 0.72 HDAC8 (0.57) HDAC8GHSRHRH3CTSDITGB3
SCHEMBL7304234 0.72 HDAC8 (0.57) HDAC8GHSRHRH3CTSDITGB3
SCHEMBL8135311 0.69 HDAC8 (0.54) HDAC8GHSRHRH3CTSDITGB3
SCHEMBL12148795 0.69 HDAC8 (0.54) HDAC8GHSRHRH3CTSDITGB3
SCHEMBL10283637 0.67 HDAC8 (0.56) HDAC8HRH3
SCHEMBL1226583 0.67 HDAC8 (0.56) HDAC8HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016001077-A1 COMPOUNDS INHIBITING THE ENZYME MONOPOLAR SPINDLE 1 KINASE,PHARMACEUTICAL COMPOSITIONS AND USES THEREOF IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-01-07 WO disclosed