SCHEMBL7985378

SCHEMBL7985378

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL7985850 0.94 GAA (0.49) GAANR1H2NR1H3TP53RXFP1
SCHEMBL7991543 0.91 GAA (0.47) TSHRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7974584 0.91 GAA (0.56) TSHRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7991874 0.89 GAA (0.48) TSHRMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL7985577 0.89 ABCG2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL7984696 0.89 GAA (0.47) GAANR1H2NR1H3TP53RXFP1
SCHEMBL7974018 0.89 GAA (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7985653 0.88 GAA (0.46) MEN1KMT2AGAANR1H2NR1H3
SCHEMBL7974247 0.88 CYP11B1 (0.44) TSHRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7974268 0.87 CYP11B1 (0.48) TSHRMAPTMEN1KMT2ASMN1; SMN2

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