SCHEMBL7974458

SCHEMBL7974458

CNc1ccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
YTHDC1 Q96MU7 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.37
PARN O95453 1/20 0.37
CNOT7 Q9UIV1 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SLC2A1 P11166 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2B P29275 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL7974547 0.88 HPGD (0.40) ADORA2AHPGDSMN1; SMN2ALDH1A1YTHDC1
SCHEMBL7975267 0.88 SMN1; SMN2 (0.46) ADORA2AHPGDSMN1; SMN2ALDH1A1ADORA3
SCHEMBL7984868 0.87 NR1H4 (0.42) ADORA2AALDH1A1YTHDC1ADORA3
SCHEMBL7988558 0.87 SMN1; SMN2 (0.43) ADORA2AHPGDSMN1; SMN2ALDH1A1ADORA3
SCHEMBL7984459 0.86 NR1H2 (0.43) ADORA2AHPGDSMN1; SMN2ALDH1A1ADORA3
SCHEMBL7975133 0.86 ADORA2A (0.50) ADORA2AHPGDSMN1; SMN2ALDH1A1ADORA3
SCHEMBL7974507 0.85 MET (0.46) ADORA2AHPGDSMN1; SMN2ALDH1A1ADORA3
Hydrochloric Acid SCHEMBL7985515 0.85 ADORA2A (0.49) ADORA2AHPGDSMN1; SMN2ALDH1A1ADORA3
SCHEMBL7985225 0.84 GAA (0.48) HPGDSMN1; SMN2ALDH1A1ADORA3GAA
SCHEMBL7984914 0.84 NR1I2 (0.42) ADORA2AHPGDSMN1; SMN2ALDH1A1GAA

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