SCHEMBL7984199

SCHEMBL7984199

CC(C)(C)c1ccc(Cn2cnc3nc(-c4ccccc4F)nc(O)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.44
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MAPK14 Q16539 1/20 0.38
MET P08581 1/20 0.37
TP53 P04637 1/20 0.36
CCKAR P32238 2/20 0.34
CCKBR P32239 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HPGD P15428 1/20 0.34
PTGER2 P43116 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7974060 0.88 SMN1; SMN2 (0.41) HDAC1HDAC6MAPK14METCYP11B1
SCHEMBL7988184 0.88 MET (0.42) HDAC1HDAC6MAPK14METCYP11B1
SCHEMBL7974646 0.88 MAPK14 (0.47) HDAC1HDAC6MAPK14METCYP11B1
SCHEMBL7974490 0.85 NR1H4 (0.47) NR1H4ABCC8KCNJ11TP53CYP11B1
SCHEMBL7991658 0.84 ABCC8 (0.42) NR1H4ABCC8KCNJ11HDAC6HPGD
SCHEMBL7987361 0.83 MET (0.45) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7992267 0.82 ICMT (0.44) NR1H4ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7974309 0.81 CYP11B1 (0.45) MAPK14METTP53CYP11B1CYP11B2
SCHEMBL7984878 0.81 MAPK14 (0.42) MAPK14METMAPTGAASMN1; SMN2
SCHEMBL7973917 0.81 LMNA (0.40) HDAC1HDAC6MAPK14METTP53

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