SCHEMBL7986341

SCHEMBL7986341

CCCC(=O)Nc1ncn(Cc2ccc(C(C)(C)C)cc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
NR1H4 Q96RI1 6/20 0.42
RET P07949 1/20 0.38
ICMT O60725 3/20 0.38
CACNA1H O95180 3/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
EPHX2 P34913 1/20 0.37
HDAC1 Q13547 2/20 0.36
FYN P06241 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL7984711 0.91 ABCC8 (0.44) ABCC8KCNJ11NR1H4ICMTCACNA1H
SCHEMBL7987680 0.87 HPGD (0.42) GSK3BHDAC1HDAC3HDAC4HDAC7
SCHEMBL7987555 0.86 GAA (0.47) GSK3BHDAC1HDAC2
SCHEMBL8061779 0.85 GSK3B (0.40) GSK3BFLT1KDR
SCHEMBL7984694 0.83 NR1H4 (0.53) NR1H4EPHX2HDAC1HDAC3HDAC4
SCHEMBL7985500 0.82 NR1H4 (0.48) ABCC8KCNJ11NR1H4FLT1KDR
SCHEMBL7991372 0.81 NR1H4 (0.49) NR1H4CACNA1HEPHX2HDAC1HDAC3
SCHEMBL7988379 0.81 KDM4E (0.50) GSK3BHDAC1CACNA1G
SCHEMBL7988995 0.80 NR1H4 (0.38) ABCC8KCNJ11NR1H4ICMTCACNA1H
SCHEMBL7991550 0.80 GAA (0.45) EPHX2HDAC1HDAC2HDAC8

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