SCHEMBL9703397

SCHEMBL9703397

COc1ccc(-c2nc3cc4c(cc3[nH]2)CC(C)(C)C(=O)N4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
STAT1 P42224 1/20 0.50
HTT P42858 1/20 0.50
NPBWR1 P48145 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
SLC2A1 P11166 1/20 0.48
CHEK2 O96017 9/20 0.47
PDE3B Q13370 2/20 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
SCHEMBL9703459 0.87 PDE4A (0.50) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL9378683 0.85 PDE4A (0.65) NPC1RAB9AMAPTGAACHEK2
SCHEMBL9703360 0.83 PDE4A (0.49) NPBWR1CHEK2PDE3BPDE3APDE4A
SCHEMBL9379025 0.80 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMEN1LMNA
SCHEMBL10532552 0.80 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMEN1LMNA
SCHEMBL9703536 0.79 TP53 (0.42) MAPTNPBWR1CHEK2PDE3BPDE3A
SCHEMBL10697003 0.77 AMY1A (0.45) NPC1RAB9AMAPTGAANPBWR1
SCHEMBL9703372 0.77 AMY1A (0.38) NPC1RAB9AMAPK1CHEK2PDE3B
SCHEMBL9703379 0.76 PDE4A (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9703453 0.76 AMY1A (0.37) MAPTPDE3BPDE3APDE4APDE4B

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