SCHEMBL7429990

SCHEMBL7429990

CS(=O)(=O)Nc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.77
TBXAS1 P24557 3/20 0.67
PDE3B Q13370 3/20 0.67
PDE3A Q14432 3/20 0.67
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52

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
Hydrochloric Acid SCHEMBL7440071 0.86 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280050 0.84 PDE5A (0.84) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7437411 0.84 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7435275 0.83 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7371441 0.83 PDE5A (0.81) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7279945 0.82 PDE5A (0.80) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280059 0.82 PDE5A (0.80) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7287473 0.82 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277549 0.82 PDE5A (0.70) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7286778 0.82 PDE5A (0.81) PDE5ATBXAS1PDE3BPDE3APTGS1

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-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed