SCHEMBL7984483

SCHEMBL7984483

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.43
SIGMAR1 Q99720 2/20 0.41
IDO1 P14902 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37

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
SCHEMBL7985807 0.94 CA1 (0.46) TLR7SIGMAR1IDO1NPFFR1NPFFR2
SCHEMBL7974264 0.83 HTR2C (0.40) GAAPKMTSHRP2RX7
SCHEMBL7987555 0.81 GAA (0.47) GAAPKMTSHRKDM4EPOLB
SCHEMBL7992102 0.81 HTR2C (0.41) GAAPKMTSHRKDM4EL3MBTL1
SCHEMBL7984221 0.80 GAA (0.46) GAAPKMTSHRKDM4EPOLB
SCHEMBL7987776 0.80 KDM4E (0.41) GAAPKMTSHRKDM4ETDP1
SCHEMBL7975190 0.80 NAMPT (0.46) IDO1KDM4EPOLB
SCHEMBL7991550 0.79 GAA (0.45) GAAPKMTSHRPOLBTDP1
SCHEMBL7985832 0.79 TSHR (0.47) GAAPKMTSHRKDM4E
SCHEMBL7991565 0.79 TSHR (0.49) GAAPKMTSHRKDM4ECYP3A4

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