SCHEMBL7987968

SCHEMBL7987968

CCc1nc2ncn(Cc3ccc(-c4ccccc4-n4ncnn4)cc3)c2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.40
BRD4 O60885 2/20 0.34
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7973932 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7987962 0.80 PDE4A (0.43) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL7975251 0.79 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7987958 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7987432 0.76 HPGD (0.47) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7984524 0.75 HPGD (0.52) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7988126 0.75 HPGD (0.49) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7985648 0.74 HPGD (0.47) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7984464 0.73 ABCC8 (0.50) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4
SCHEMBL7987778 0.73 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HPGDKMT2ABRD4

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