SCHEMBL7987782

SCHEMBL7987782

CCc1nc(O)c2c(ncn2Cc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP1A2 P05177 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7975252 0.90 HPGD (0.45) SMN1; SMN2MEN1ALDH1A1KMT2AHIF1A
SCHEMBL7973934 0.85 CYP11B1 (0.45) SMN1; SMN2ALDH1A1KMT2AHDAC6GAA
SCHEMBL7988129 0.85 MET (0.44) SMN1; SMN2ALDH1A1KMT2ALMNACYP1A2
SCHEMBL7987443 0.84 GAA (0.37) NPC1SMN1; SMN2NPSR1MEN1ALDH1A1
SCHEMBL7985651 0.82 CYP1A2 (0.41) SMN1; SMN2ALDH1A1KMT2ACYP1A2GAA
SCHEMBL7992337 0.82 GAA (0.35) NPC1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7985343 0.82 GAA (0.44) SMN1; SMN2ALDH1A1KMT2AGAATSHR
SCHEMBL7974515 0.81 GAA (0.48) SMN1; SMN2ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL7989407 0.81 HPGD (0.44) SMN1; SMN2MEN1ALDH1A1KMT2AHIF1A
SCHEMBL7987434 0.81 CYP11B1 (0.42) TP53SMN1; SMN2MEN1ALDH1A1KMT2A

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