SCHEMBL29282029

SCHEMBL29282029

CCCc1nn(C)c2c(=S)nc(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.76
PDE3B Q13370 3/20 0.76
PDE3A Q14432 3/20 0.76
PDE1A P54750 4/20 0.63
PDE1B Q01064 4/20 0.63
PDE1C Q14123 4/20 0.63
PDE2A O00408 1/20 0.63
ABCC4 O15439 1/20 0.63
ABCC5 O15440 1/20 0.63
PDE6D O43924 1/20 0.63
PDE8A O60658 1/20 0.63
PDE9A O76083 1/20 0.63
ABCB11 O95342 1/20 0.63
CYP3A4 P08684 1/20 0.63
HTR1A P08908 1/20 0.63
PDE6A P16499 1/20 0.63
PDE6G P18545 1/20 0.63
PDE4A P27815 1/20 0.63
ADORA2A P29274 1/20 0.63
ADORA1 P30542 1/20 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
SCHEMBL30199894 0.93 PDE5A (0.75) PDE5APDE3BPDE3APDE1APDE1B
Lodenafil SCHEMBL18416781 0.92 PDE5A (0.78) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL30199978 0.91 PDE5A (0.74) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6713790 0.89 PDE5A (0.85) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL16558010 0.88 PDE5A (0.70) PDE5APDE3BPDE3APDE1APDE1B
Lodenafil SCHEMBL1058 0.86 PDE5A (1.00) PDE5APDE3BPDE3APDE1APDE1B
Lodenafil SCHEMBL31202790 0.86 PDE5A (1.00) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL30917340 0.86 KMT2A (0.59) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL30848723 0.86 PDE5A (0.67) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL19254528 0.85 PDE5A (0.78) PDE5APDE3BPDE3APDE1APDE1B

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
CN-118878542-A Haomaxidenafil derivative and synthesis method and application thereof 西安市食品药品检验所 2024-11-01 CN disclosed
CN-117969703-A Method for detecting content of thionafil derivative in food or Chinese patent medicine 上海市食品药品检验研究院 2024-05-03 CN disclosed