SCHEMBL7987680

SCHEMBL7987680

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
GSK3B P49841 2/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 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
SCHEMBL7987555 0.88 GAA (0.47) HPGDGSK3BMAPTCYP1A2MEN1
SCHEMBL8061779 0.87 GSK3B (0.40) HPGDGSK3B
SCHEMBL7984382 0.87 NPC1 (0.41) GSK3BTP53MAPTKDM4EALDH1A1
SCHEMBL7986341 0.87 GSK3B (0.43) GSK3BHDAC1HDAC3HDAC4HDAC7
SCHEMBL7988379 0.83 KDM4E (0.50) GSK3BTP53MAPTADORA1KDM4E
SCHEMBL7991550 0.82 GAA (0.45) HPGDADORA1ALDH1A1HDAC1HDAC2
SCHEMBL7988471 0.81 KDM4E (0.43) GSK3BCYP1A2KDM4ELMNA
SCHEMBL7987935 0.81 XDH (0.47) HPGDMEN1KMT2AALDH1A1HDAC1
SCHEMBL7973987 0.80 FGFR1 (0.45) MAPTKMT2ACYP11B1CYP11B2ADORA3
SCHEMBL7985361 0.80 P2RY14 (0.52) KDM4EALDH1A1CNR1CNR2HDAC1

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