SCHEMBL7985807

SCHEMBL7985807

CC(C)(C)OC(=O)NCCCC(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
TLR7 Q9NYK1 4/20 0.45
SIGMAR1 Q99720 2/20 0.44
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
GBA1 P04062 1/20 0.39
IDO1 P14902 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
STING1 Q86WV6 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL7984483 0.94 TLR7 (0.43) CA1CA2TLR7SIGMAR1CYP3A4
SCHEMBL7974264 0.81 HTR2C (0.40)
SCHEMBL7987555 0.80 GAA (0.47) CYP3A4HDAC1HDAC2
SCHEMBL7992102 0.79 HTR2C (0.41)
SCHEMBL7984221 0.79 GAA (0.46) NPSR1HDAC1HDAC2
SCHEMBL7975190 0.79 NAMPT (0.46) IDO1HDAC1HDAC10HDAC6
SCHEMBL7987776 0.79 KDM4E (0.41) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7985832 0.78 TSHR (0.47) NPSR1
SCHEMBL8056336 0.76 PKM (0.36)
SCHEMBL7988350 0.75 GAA (0.51)

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed