SCHEMBL7991550

SCHEMBL7991550

CCCCC(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC2 Q92769 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ XDH P47989 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ POLB P06746 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ GSK3A P49840 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL7987935 0.97 XDH (0.47) GAAPKMTSHRHDAC1HDAC2
SCHEMBL7987555 0.93 GAA (0.47) GAAPKMTSHRHDAC1HDAC2
SCHEMBL7991565 0.88 TSHR (0.49) GAAPKMTSHRALDH1A1HTT
SCHEMBL7985832 0.84 TSHR (0.47) GAAPKMTSHRALDH1A1HTT
SCHEMBL7988350 0.83 GAA (0.51) GAAPKMTSHRALDH1A1HTT
SCHEMBL7984221 0.83 GAA (0.46) GAAPKMTSHRHDAC1HDAC2
SCHEMBL8061779 0.83 GSK3B (0.40) XDHHTTHPGDGSK3A
SCHEMBL7988379 0.83 KDM4E (0.50) HDAC1HTTADORA1
SCHEMBL7984368 0.82 GSK3B (0.44) GAATSHRHDAC1HDAC2ALDH1A1
SCHEMBL7985807 0.82 CA1 (0.46) HDAC1HDAC2HDAC8

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
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