SCHEMBL7985381

SCHEMBL7985381

COc1cccc(-c2nc(=O)c3c(ncn3Cc3cccc(C)c3)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL7985852 0.94 TP53 (0.52) TP53RXFP1MAPTGAAAURKA
SCHEMBL7991545 0.91 TSHR (0.48) HPGDALDH1A1POLBTP53RXFP1
SCHEMBL7974586 0.91 GAA (0.52) TP53RXFP1MAPTGAAPIN1
SCHEMBL7985580 0.90 HPGD (0.49) HPGDTP53RXFP1CYP1A2CYP3A4
SCHEMBL7991877 0.90 P2RX7 (0.47) TP53RXFP1MAPTCYP1A2CYP3A4
SCHEMBL7974021 0.89 TP53 (0.51) ALDH1A1TP53RXFP1MAPTCYP1A2
SCHEMBL7985655 0.89 TP53 (0.48) HPGDPOLBTP53RXFP1MEN1
SCHEMBL7974270 0.88 ALDH1A1 (0.46) HPGDALDH1A1TP53MAPTTSHR
SCHEMBL7974316 0.88 TP53 (0.48) HPGDALDH1A1TP53RXFP1TSHR
SCHEMBL7974096 0.88 TP53 (0.48) HPGDALDH1A1TP53RXFP1MAPT

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