SCHEMBL8540438

SCHEMBL8540438

c1nc(NCc2ccc3c(c2)OCO3)c2cc(-n3cncn3)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CLK4 Q9HAZ1 4/20 0.63

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
SCHEMBL7418282 0.83 PDE5A (0.64) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8542911 0.81 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7499068 0.80 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31034788 0.79 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7493988 0.79 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31038289 0.79 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13191863 0.79 PDE5A (0.76) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13192079 0.79 PDE5A (0.76) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8015683 0.79 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27376208 0.78 PDE5A (0.98) PDE5AMEN1KMT2AALDH1A1SMN1; 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
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed