SCHEMBL8199929

SCHEMBL8199929

CCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OCC)C2)cc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.69
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.48
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL8212665 0.93 PDE5A (0.72) PDE5A
SCHEMBL7403451 0.92 PDE5A (0.75) PDE5A
SCHEMBL8198747 0.89 PDE5A (0.53) PDE5AALDH1A1SMN1; SMN2RCE1RAB9A
SCHEMBL7415070 0.88 PDE5A (0.71) PDE5A
SCHEMBL8207075 0.86 PDE5A (0.78) PDE5A
SCHEMBL7372006 0.85 PDE5A (0.51) PDE5ARAB9A
SCHEMBL8210494 0.85 PDE5A (0.49) PDE5AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8206824 0.84 PDE5A (0.78) PDE5A
SCHEMBL7407315 0.83 PDE5A (0.83) PDE5A
SCHEMBL7409432 0.82 PDE5A (0.85) PDE5A

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
US-6087368-A AN ENZYME INHIBITOR TREATING ERECTILE DYSFUNCTION OF SEX DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-07-11 — — US claimed
US-6087368-A AN ENZYME INHIBITOR TREATING ERECTILE DYSFUNCTION OF SEX DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-07-11 — — US disclosed
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