SCHEMBL7991597

SCHEMBL7991597

Cc1ccc(Cn2cnc3nc(-c4cccc(Cl)c4)nc(O)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GLA P06280 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL7975240 0.92 ALDH1A1 (0.42) HDAC1HDAC6CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7985565 0.90 HDAC6 (0.40) HDAC1HDAC6CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7974012 0.90 ALDH1A1 (0.41) HDAC1HDAC6SMN1; SMN2HTTCYP11B1
SCHEMBL7973626 0.90 SMN1; SMN2 (0.45) HDAC1HDAC6SMN1; SMN2HTTCYP11B1
SCHEMBL7984423 0.89 SMN1; SMN2 (0.38) HDAC1HDAC6CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7988781 0.89 MET (0.43) PDE4BHDAC1HDAC6CYP3A4CYP2C19
SCHEMBL7985010 0.89 NR1H4 (0.43) PDE4BHDAC1HDAC6CYP3A4CYP2C19
SCHEMBL7974469 0.88 HDAC1 (0.40) HDAC1HDAC6CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7984717 0.88 SMN1; SMN2 (0.46) HDAC6CYP3A4CYP2C19SMN1; SMN2LMNA
SCHEMBL7991543 0.86 GAA (0.47) HDAC1HDAC6CYP3A4CYP2C19SMN1; SMN2

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