SCHEMBL7985299

SCHEMBL7985299

Nc1cccc(-c2nc(O)c3c(ncn3Cc3cccc(F)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 1/20 0.36
EGFR P00533 1/20 0.36
EPHX2 P34913 2/20 0.36
PPARG P37231 2/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
SLC2A1 P11166 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL7991669 0.93 HDAC1 (0.38) CDK9ROCK2ROCK1EPHX2PPARG
SCHEMBL7991635 0.90 IDO1 (0.37) CDK9ROCK2ROCK1EPHX2PPARG
SCHEMBL7974416 0.90 MET (0.43) MAPK14HSD17B13KDM4EMEN1ALDH1A1
SCHEMBL7985791 0.90 CYP11B1 (0.40) CDK9EPHX2PPARGHSD17B13BRD4
SCHEMBL7984659 0.89 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7985360 0.88 POLB (0.40) CDK9L3MBTL1HSD17B13LMNAHDAC6
SCHEMBL7987253 0.88 HPGDS (0.40) ALDH1A1HPGDCYP11B1CYP11B2ADORA2A
Hydrochloric Acid SCHEMBL7987662 0.88 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7988638 0.88 MET (0.42) CDK9ROCK2ROCK1MAPK14EPHX2
SCHEMBL7991557 0.87 LMNA (0.43) SLC2A1KDM4EMEN1ALDH1A1LMNA

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