SCHEMBL7988488

SCHEMBL7988488

CCn1cnc2nc(-c3ccccc3)[nH]c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
PDE5A O76074 2/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ADORA2B P29275 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL7984998 0.90 PDE5A (0.52) PDE5AKMT2AMEN1HPGDALDH1A1
SCHEMBL7988249 0.87 PDE5A (0.50) BRD4PDE5AKMT2AMEN1HPGD
SCHEMBL7985373 0.86 PDE5A (0.49) PDE5AKMT2AMEN1HPGDALDH1A1
SCHEMBL7984495 0.86 HPGD (0.47) PDE5AKMT2AMEN1HPGDALDH1A1
SCHEMBL7975265 0.85 SMN1; SMN2 (0.61) BRD4KMT2AMEN1HPGDALDH1A1
SCHEMBL7974064 0.85 XDH (0.48) PDE5AKMT2AMEN1HPGDALDH1A1
SCHEMBL7974613 0.83 CNOT7 (0.49) PDE5AKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7984716 0.83 SMN1; SMN2 (0.53) BRD4PDE5AKMT2AMEN1HPGD
SCHEMBL7984786 0.83 SMN1; SMN2 (0.45) BRD4PDE5AKMT2AMEN1HPGD
SCHEMBL7984240 0.81 LMNA (0.58) PDE5AKMT2AMEN1HPGDALDH1A1

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