SCHEMBL29831936

SCHEMBL29831936

CCOC(=O)c1sc(Nc2nc(NCc3cc(OC)c(OC)c(OC)c3)cc(N3CCOCC3)n2)nc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.70
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
PDE2A O00408 1/20 0.48
LMNA P02545 2/20 0.47
AURKA O14965 2/20 0.45
CSNK1D P48730 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28578234 1.00 PDE5A (0.70) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL29831637 0.92 PDE5A (0.84) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL6068495 0.92 PDE5A (0.84) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL290946 0.92 PDE5A (0.75) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL6068433 0.92 PDE5A (0.58) PDE5AALDH1A1KDM4EMAPTAURKA
SCHEMBL290588 0.91 PDE5A (0.85) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL28562458 0.90 PDE5A (0.71) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL29408500 0.90 PDE5A (0.71) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL28567758 0.90 PDE5A (0.69) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL28567816 0.89 PDE5A (0.70) PDE5AALDH1A1KDM4EMAPTPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed