SCHEMBL7987609

SCHEMBL7987609

CCCCc1nc(O)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TNF P01375 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2B P29275 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL7989566 0.96 HPGD (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7989407 0.94 HPGD (0.44) HPGDSMN1; SMN2ALDH1A1TNFCYP11B1
SCHEMBL7988839 0.88 SMN1; SMN2 (0.45) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL7985319 0.88 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1TNFCYP11B1
SCHEMBL7975252 0.87 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1TNFCYP11B1
Hydrochloric Acid SCHEMBL7975098 0.87 SMN1; SMN2 (0.44) PDE4APDE4BPDE4CPDE4DHPGD
Hydrochloric Acid SCHEMBL7987745 0.87 SMN1; SMN2 (0.41) HPGDSMN1; SMN2ALDH1A1TNFCYP11B1
SCHEMBL7492447 0.85 TLR7 (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7985637 0.85 SMN1; SMN2 (0.43) HPGDSMN1; SMN2ALDH1A1TNFCYP11B1
SCHEMBL7987704 0.84 SMN1; SMN2 (0.46) PDE4APDE4BPDE4CPDE4DHPGD

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