SCHEMBL8210494

SCHEMBL8210494

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 16/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PDE6D O43924 1/20 0.47
▸ PDE6A P16499 1/20 0.47
▸ PDE6G P18545 1/20 0.47
▸ PDE6B P35913 1/20 0.47
▸ PDE6C P51160 1/20 0.47
▸ PDE6H Q13956 1/20 0.47
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL8198747 0.93 PDE5A (0.53) PDE5AALDH1A1SMN1; SMN2PDE6DPDE6A
SCHEMBL7372006 0.92 PDE5A (0.51) PDE5ARAB9A
SCHEMBL8211624 0.92 PDE5A (0.53) PDE5A
SCHEMBL8199929 0.85 PDE5A (0.69) PDE5AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8207695 0.85 VCAM1 (0.59) PDE5A
SCHEMBL8206815 0.85 PDE5A (0.58) PDE5APDE6C
SCHEMBL8206349 0.83 PDE5A (0.58) PDE5APDE6C
SCHEMBL7378244 0.83 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7371213 0.82 PDE5A (0.64) PDE5APDE6C
SCHEMBL7377912 0.80 PDE5A (0.65) PDE5APDE6DPDE6APDE6GPDE6B

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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