SCHEMBL7985282

SCHEMBL7985282

CCCCn1cnc2nc(-c3cc(C)c(OCc4ccccc4)c(C)c3)[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
PDE4A P27815 1/20 0.41
ADORA2A P29274 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 3/20 0.38
HDAC2 Q92769 3/20 0.38
PRMT5 O14744 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL7985287 0.85 CNOT7 (0.40) ALDH1A1KMT2AMEN1PDE4AADORA2A
SCHEMBL7988249 0.83 PDE5A (0.50) ALDH1A1KMT2AMEN1PDE4AADORA2A
SCHEMBL7985781 0.81 MEN1 (0.46) ALDH1A1KMT2AMEN1PDE4AADORA2A
SCHEMBL7985373 0.80 PDE5A (0.49) ALDH1A1KMT2AMEN1PDE4AADORA2A
SCHEMBL7985284 0.79 TLR4 (0.35) ALDH1A1LMNAPOLBHPGDNPSR1
SCHEMBL7984961 0.79 HPGD (0.48) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL7974064 0.79 XDH (0.48) ALDH1A1KMT2AMEN1PDE4AADORA2A
SCHEMBL7984998 0.76 PDE5A (0.52) ALDH1A1KMT2AMEN1PDE4AADORA2A
SCHEMBL7987442 0.76 HPGD (0.46) ALDH1A1KMT2AMEN1HPGDXBP1
SCHEMBL7985069 0.76 SMN1; SMN2 (0.50) ALDH1A1KMT2AMEN1PDE4APDE4B

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