SCHEMBL7984897

SCHEMBL7984897

COc1cccc(-c2nc(O)c3c(ncn3CCCc3ccccc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
PTGDR Q13258 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
TSHR P16473 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
CYP2D6 P10635 3/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL7989009 0.94 GAA (0.47) GAANR1H2NR1H3SIGMAR1CYP1A2
SCHEMBL7974584 0.88 GAA (0.56) GAANR1H2NR1H3SIGMAR1CYP1A2
SCHEMBL7992303 0.87 CNOT7 (0.40) TSHRMAPK1LMNAFAAHOPRM1
SCHEMBL7984242 0.86 CNOT7 (0.45) SIGMAR1TSHRMAPK1ALDH1A1LMNA
SCHEMBL7986355 0.85 SIGMAR1 (0.42) GAASIGMAR1TSHRMAPK1ALDH1A1
SCHEMBL7974291 0.85 CNOT7 (0.39) TSHRMAPK1LMNAFAAHADORA2A
SCHEMBL7987628 0.85 PDE4B (0.40) SIGMAR1TSHRMAPK1ALDH1A1LMNA
SCHEMBL7985850 0.85 GAA (0.49) GAANR1H2NR1H3CLK4TP53
SCHEMBL7974018 0.84 GAA (0.53) GAANR1H2NR1H3SIGMAR1CYP1A2
SCHEMBL7985378 0.81 TSHR (0.47) GAANR1H2NR1H3CYP1A2CYP3A4

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