SCHEMBL7974515

SCHEMBL7974515

COc1ccc(Cc2nc(O)c3c(ncn3Cc3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
LTA4H P09960 1/20 0.43
HPGD P15428 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MET P08581 1/20 0.41
CTSL P07711 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
P2RX7 Q99572 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL7985225 0.83 GAA (0.48) GAAHPGDCYP11B1CYP11B2CYP1A2
SCHEMBL7985705 0.83 CYP11B1 (0.49) GAAHPGDCYP11B1CYP11B2CYP1A2
SCHEMBL7985343 0.82 GAA (0.44) GAAHPGDCYP11B1CYP11B2RXFP1
SCHEMBL7987782 0.81 NPC1 (0.44) GAAHPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL7975252 0.81 HPGD (0.45) GAAHPGDCYP11B1CYP11B2RXFP1
SCHEMBL7984365 0.80 HPGD (0.45) GAAHPGDCYP11B1CYP11B2CTSL
SCHEMBL7989407 0.80 HPGD (0.44) GAAHPGDCYP11B1CYP11B2RXFP1
SCHEMBL7985684 0.80 DHPS (0.42) HPGDCYP11B1CYP11B2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7992066 0.79 HPGD (0.44) GAAHPGDCYP11B1CYP11B2CTSL
SCHEMBL7985471 0.79 HPGD (0.43) GAAHPGDCYP11B1CYP11B2RXFP1

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