SCHEMBL7498732

SCHEMBL7498732

NC(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 1.00
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CLK4 Q9HAZ1 3/20 0.66
AURKA O14965 1/20 0.64
RPS6KB1 P23443 1/20 0.64
AURKB Q96GD4 1/20 0.64

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
SCHEMBL7495278 0.91 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7490094 0.85 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13191863 0.84 PDE5A (0.76) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8015683 0.84 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7499068 0.82 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31038289 0.81 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31034788 0.81 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2458882 0.81 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7493988 0.81 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13192079 0.81 PDE5A (0.76) PDE5AMEN1ALDH1A1KMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed