SCHEMBL7985456

SCHEMBL7985456

COc1cccc(Cn2cnc3nc(-c4ccccn4)nc(O)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FFAR1 O14842 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
ROCK2 O75116 2/20 0.41
LPO P22079 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7974018 0.87 GAA (0.53) GAATP53RXFP1MEN1KMT2A
SCHEMBL7991788 0.87 CYP11B1 (0.46) GAAHIF1APKMGRM5SMN1; SMN2
SCHEMBL7985850 0.85 GAA (0.49) GAATP53RXFP1ABCG2YTHDC1
SCHEMBL7985870 0.85 GAA (0.50) GAATP53RXFP1KMT2AYTHDC1
SCHEMBL7985492 0.85 SMN1; SMN2 (0.42) TP53MEN1KMT2AHIF1ANPC1
SCHEMBL7989313 0.85 ROCK2 (0.52) GAATP53RXFP1YTHDC1ROCK2
SCHEMBL7974007 0.85 KDM4C (0.41) FFAR1MEN1KMT2ANPC1GRM5
SCHEMBL7992177 0.85 SMN1; SMN2 (0.42) TP53FFAR1HIF1ANPC1PKM
SCHEMBL7984696 0.83 GAA (0.47) GAATP53RXFP1ABCG2YTHDC1
SCHEMBL7974584 0.82 GAA (0.56) GAATP53RXFP1MEN1KMT2A

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