SCHEMBL7985577

SCHEMBL7985577

COc1cccc(-c2nc(O)c3c(ncn3Cc3cccc(F)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOB P27338 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL7974314 0.96 GAA (0.46) ABCG2KDM4EHPGDNPSR1GAA
SCHEMBL7985850 0.93 GAA (0.49) ABCG2GAATP53RXFP1NR1H2
SCHEMBL7974194 0.91 ABCG2 (0.48) ABCG2KDM4EHPGDGAAMAOB
SCHEMBL7974584 0.90 GAA (0.56) ABCG2GAATP53RXFP1NR1H2
SCHEMBL7991669 0.90 HDAC1 (0.38) EPHX2PPARGCNR1
SCHEMBL7988750 0.89 GAA (0.46) ABCG2HPGDGAATP53RXFP1
SCHEMBL7985378 0.89 TSHR (0.47) ABCG2HPGDGAATP53RXFP1
SCHEMBL7991874 0.88 GAA (0.48) ABCG2GAATP53RXFP1NR1H2
SCHEMBL7984696 0.88 GAA (0.47) ABCG2GAATP53RXFP1NR1H2
SCHEMBL7974018 0.88 GAA (0.53) ABCG2KDM4EGAATP53RXFP1

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