SCHEMBL7985331

SCHEMBL7985331

O=c1[nH]c(-c2cccnc2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.45
GRIN2B Q13224 4/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP11B1 P15538 1/20 0.42
HPGDS O60760 1/20 0.41
KMT2A Q03164 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PNP P00491 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ROCK2 O75116 1/20 0.40
CHEK1 O14757 1/20 0.39
PKM P14618 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
SCHEMBL7991667 0.90 ALDH1A1 (0.46) GRIN1GRIN2BALDH1A1SMN1; SMN2KMT2A
SCHEMBL7989418 0.89 SMN1; SMN2 (0.44) GRIN1GRIN2BALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7985261 0.89 ALDH1A1 (0.44) GRIN1GRIN2BALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7985787 0.89 SMN1; SMN2 (0.50) GRIN1GRIN2BALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7988656 0.88 NPY5R (0.44) GRIN1GRIN2BALDH1A1SMN1; SMN2KMT2A
SCHEMBL7988931 0.88 GRIN1 (0.44) GRIN1GRIN2BALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7974283 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ACNOT7PNP
SCHEMBL7988635 0.87 ALDH1A1 (0.45) GRIN1GRIN2BALDH1A1SMN1; SMN2KMT2A
SCHEMBL7985297 0.86 ALDH1A1 (0.43) GRIN1GRIN2BALDH1A1SMN1; SMN2KMT2A
SCHEMBL7987428 0.86 ROCK2 (0.57) GAARXFP1KDM4CROCK2

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