SCHEMBL7987935

SCHEMBL7987935

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
SOAT1 P35610 3/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SOAT2 O75908 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7991550 0.97 GAA (0.45) XDHHDAC1HDAC2EPHX2GAA
SCHEMBL7987555 0.92 GAA (0.47) HDAC1HDAC2GAAPKMTSHR
SCHEMBL7991565 0.87 TSHR (0.49) GAAPKMTSHRKMT2AALDH1A1
SCHEMBL7988350 0.82 GAA (0.51) GAAPKMTSHRMEN1KMT2A
SCHEMBL8061779 0.82 GSK3B (0.40) XDHHPGDHTT
SCHEMBL7988379 0.82 KDM4E (0.50) HDAC1GLAMAPK1L3MBTL1HTT
SCHEMBL7003410 0.81 HDAC1 (0.48) HDAC1HDAC2EPHX2TSHRMEN1
SCHEMBL7984368 0.81 GSK3B (0.44) HDAC1HDAC2GAATSHRMEN1
SCHEMBL7985807 0.81 CA1 (0.46) HDAC1HDAC2HDAC8
SCHEMBL7987680 0.81 HPGD (0.42) HDAC1HDAC2MEN1KMT2AALDH1A1

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