SCHEMBL29972749

SCHEMBL29972749

CCOC(=O)c1cnc(SC)nc1NCc1ccc(OC)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.59
ALDH1A1 P00352 2/20 0.58
PDE6D O43924 1/20 0.56
PDE6A P16499 1/20 0.56
PDE6G P18545 1/20 0.56
PDE6B P35913 1/20 0.56
PDE6C P51160 1/20 0.56
PDE6H Q13956 1/20 0.56
SYK P43405 2/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
PDE10A Q9Y233 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL31694381 1.00 PDE5A (0.59) PDE5AALDH1A1PDE6DPDE6APDE6G
SCHEMBL1679801 1.00 PDE5A (0.59) PDE5AALDH1A1PDE6DPDE6APDE6G
SCHEMBL16816549 0.93 ALDH1A1 (0.57) PDE5AALDH1A1PDE6DPDE6APDE6G
SCHEMBL19158549 0.93 PDE5A (0.57) PDE5AALDH1A1PDE6DPDE6APDE6G
SCHEMBL16137867 0.90 ALDH1A1 (0.60) PDE5AALDH1A1SYKMAPK1HTT
SCHEMBL16815900 0.89 ALDH1A1 (0.58) PDE5AALDH1A1PDE6DPDE6APDE6G
SCHEMBL4976195 0.88 PDE5A (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16345647 0.88 PDE5A (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4974720 0.88 PDE5A (0.54) PDE5APDE10A
SCHEMBL31189121 0.88 PDE5A (0.54) PDE5APDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430591-A Synthesis method of avanafil 康普药业股份有限公司 2024-01-23 CN claimed
CN-115304585-A Preparation method of avanafil 江苏恒沛药物科技有限公司 2022-11-08 CN claimed
CN-117430591-A Synthesis method of avanafil 康普药业股份有限公司 2024-01-23 CN disclosed
CN-115304585-A Preparation method of avanafil 江苏恒沛药物科技有限公司 2022-11-08 CN disclosed