SCHEMBL7986237

SCHEMBL7986237

CC(C)(C)c1cc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
BCHE P06276 2/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
F2R P25116 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ADORA2B P29275 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL8056959 0.88 NR1H4 (0.39) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL7988683 0.87 GAA (0.38) MAOBHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL7984888 0.85 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL7985325 0.85 HPGD (0.42) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL7988787 0.84 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL7975267 0.84 SMN1; SMN2 (0.46) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL7974490 0.82 NR1H4 (0.47) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7985348 0.81 GAA (0.53) HPGDSMN1; SMN2ALDH1A1GAARXFP1
SCHEMBL7988558 0.80 SMN1; SMN2 (0.43) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL7988594 0.80 TP53 (0.44) HPGDSMN1; SMN2ALDH1A1GAAKMT2A

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