SCHEMBL7988656

SCHEMBL7988656

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
UBE2N P61088 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PNP P00491 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL7973624 0.90 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GLAHTTUBE2N
SCHEMBL7974283 0.90 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1L3MBTL1KMT2AHPGD
SCHEMBL8056885 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GLAHTTUBE2N
SCHEMBL7988662 0.89 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1GLAHTTUBE2N
SCHEMBL7985331 0.88 GRIN1 (0.45) GRIN1GRIN2BSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7988931 0.88 GRIN1 (0.44) NPY5RGRIN1GRIN2BSMN1; SMN2ALDH1A1
SCHEMBL7991564 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GLAHTTUBE2N
SCHEMBL7987428 0.86 ROCK2 (0.57) NPY5RGAARXFP1
SCHEMBL7974010 0.86 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1GLAHTTUBE2N
SCHEMBL7987307 0.85 GRIN1 (0.46) GRIN1GRIN2BSMN1; SMN2ALDH1A1GLA

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