SCHEMBL7988931

SCHEMBL7988931

Cc1cccc(Cn2cnc3nc(-c4cccnc4)[nH]c(=O)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
NPY5R Q15761 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPK14 Q16539 2/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ROCK2 O75116 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CNOT7 Q9UIV1 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PNP P00491 1/20 0.40

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
SCHEMBL7988745 0.89 HPGD (0.44) KMT2AMAPK14HPGDALDH1A1SMN1; SMN2
SCHEMBL7984766 0.89 HPGD (0.44) NPY5RKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7974266 0.89 ALDH1A1 (0.50) KMT2AHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7985331 0.88 GRIN1 (0.45) GRIN1GRIN2BKMT2AHPGDALDH1A1
SCHEMBL7988656 0.88 NPY5R (0.44) GRIN1GRIN2BNPY5RKMT2AHPGD
SCHEMBL7974283 0.88 ALDH1A1 (0.53) KMT2AHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7987428 0.88 ROCK2 (0.57) NPY5RROCK2GAARXFP1
SCHEMBL7991556 0.86 HPGD (0.43) KMT2AHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7974245 0.85 HPGD (0.45) KMT2AHPGDALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7988952 0.85 GRIN1 (0.43) GRIN1GRIN2BKMT2AHPGDALDH1A1

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