SCHEMBL7985261

SCHEMBL7985261

O=c1[nH]c(-c2ccncc2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
HPGD P15428 1/20 0.42
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL7988635 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AROCK2ROCK1
SCHEMBL7985787 0.92 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KMT2AROCK2ROCK1
SCHEMBL7991667 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AROCK2ROCK1
SCHEMBL7985331 0.89 GRIN1 (0.45) ALDH1A1SMN1; SMN2KMT2AROCK2HPGD
SCHEMBL7988745 0.88 HPGD (0.44) ALDH1A1SMN1; SMN2KMT2AROCK2ROCK1
SCHEMBL8056885 0.88 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDGRIA1
SCHEMBL7985270 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AHPGDGRIA1
SCHEMBL7974445 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AHPGDGRIA1
SCHEMBL7985297 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AROCK2ROCK1
SCHEMBL7985359 0.86 GRIN1 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDMKNK1

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