SCHEMBL7974547

SCHEMBL7974547

CNc1cccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA2A P29274 2/20 0.40
GAA P10253 1/20 0.40
YTHDC1 Q96MU7 5/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
PARN O95453 1/20 0.35
CNOT7 Q9UIV1 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7984471 0.89 NR1H4 (0.41) YTHDC1TRPM8ADORA3
SCHEMBL7974458 0.88 ADORA2A (0.44) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
SCHEMBL7988594 0.86 TP53 (0.44) HPGDSMN1; SMN2ALDH1A1GAACYP11B1
SCHEMBL7985336 0.85 PIK3CA (0.42) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
SCHEMBL7975267 0.85 SMN1; SMN2 (0.46) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
SCHEMBL7974012 0.84 ALDH1A1 (0.41) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
SCHEMBL7984659 0.84 ALDH1A1 (0.44) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
Hydrochloric Acid SCHEMBL7987662 0.84 ALDH1A1 (0.43) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
SCHEMBL7987253 0.84 HPGDS (0.40) HPGDSMN1; SMN2ALDH1A1ADORA2AGAA
SCHEMBL7984761 0.83 CYP17A1 (0.42) HPGDGAAADORA3

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