SCHEMBL9703459

SCHEMBL9703459

Cc1ccc(-c2nc3cc4c(cc3[nH]2)CC(C)(C)C(=O)N4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
CHEK2 O96017 4/20 0.47
RAB9A P51151 3/20 0.47
NPBWR1 P48145 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL9378683 0.88 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703397 0.87 NPC1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703360 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703536 0.82 TP53 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378391 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10697003 0.76 AMY1A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703379 0.74 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13041693 0.74 NPBWR1 (0.64) CHEK2RAB9ANPBWR1NPC1SMN1; SMN2
SCHEMBL9866153 0.73 NPBWR1 (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703372 0.73 AMY1A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed