SCHEMBL7985336

SCHEMBL7985336

Oc1cccc(-c2nc(O)c3c(ncn3Cc3ccccc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HPGD P15428 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADORA2A P29274 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CSNK1D P48730 2/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
CXCR2 P25025 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7991646 0.91 SMN1; SMN2 (0.43) PIK3CAMTORPIK3CGSMN1; SMN2HSD17B13
SCHEMBL7988787 0.90 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAAHPGDCYP11B1
SCHEMBL7975267 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAHPGDCYP11B1
SCHEMBL7985565 0.90 HDAC6 (0.40) PIK3CAMTORPIK3CGSMN1; SMN2GAA
SCHEMBL7985613 0.90 MET (0.46) PIK3CAMTORPIK3CGHSD17B13HDAC1
SCHEMBL7984659 0.89 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1GAAHPGDCYP11B1
SCHEMBL7974012 0.89 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAHDAC1HDAC6
SCHEMBL7991635 0.89 IDO1 (0.37) PIK3CAMTORPIK3CGHSD17B13HDAC1
SCHEMBL7974247 0.89 CYP11B1 (0.44) PIK3CAMTORPIK3CGSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7987662 0.88 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1GAAHPGDCYP11B1

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