SCHEMBL8198747

SCHEMBL8198747

CCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OCC)C2)cc1-c1nc2cc(N)c(N)cc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 14/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ PDE6D O43924 1/20 0.48
▸ PDE6A P16499 1/20 0.48
▸ PDE6G P18545 1/20 0.48
▸ PDE6B P35913 1/20 0.48
▸ PDE6C P51160 1/20 0.48
▸ PDE6H Q13956 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.48

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
SCHEMBL8210494 0.93 PDE5A (0.49) PDE5AALDH1A1SMN1; SMN2RAB9APDE6D
SCHEMBL8206815 0.92 PDE5A (0.58) PDE5APDE6C
SCHEMBL8199929 0.89 PDE5A (0.69) PDE5AALDH1A1SMN1; SMN2RAB9ARCE1
SCHEMBL7372006 0.88 PDE5A (0.51) PDE5ARAB9A
SCHEMBL8211624 0.84 PDE5A (0.53) PDE5A
SCHEMBL8212665 0.81 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7368497 0.81 PDE5A (0.77) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7372999 0.81 PDE5A (0.69) PDE5APDE6C
SCHEMBL7403451 0.81 PDE5A (0.75) PDE5A
SCHEMBL8207695 0.80 VCAM1 (0.59) 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 1 patent. 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 disclosed
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