SCHEMBL7372006

SCHEMBL7372006

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.51
▸ VCAM1 P19320 1/20 0.50
▸ 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
SCHEMBL8207695 0.93 VCAM1 (0.59) PDE5AVCAM1
SCHEMBL8210494 0.92 PDE5A (0.49) PDE5ARAB9A
SCHEMBL8198747 0.88 PDE5A (0.53) PDE5ARAB9A
SCHEMBL8211624 0.86 PDE5A (0.53) PDE5AVCAM1
SCHEMBL8199929 0.85 PDE5A (0.69) PDE5ARAB9A
SCHEMBL8207666 0.84 PDE5A (0.59) PDE5A
SCHEMBL7373885 0.84 PDE5A (0.71) PDE5A
SCHEMBL7376362 0.83 PDE5A (0.66) PDE5A
SCHEMBL8206815 0.81 PDE5A (0.58) PDE5A
SCHEMBL7369832 0.80 PDE5A (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085871-A4 QUINAZOLINONE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL MYERS SQUIBB CO (US) 2001-10-04 — — EP disclosed
EP-1085871-A1 QUINAZOLINONE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-28 — — EP disclosed
US-6087368-A AN ENZYME INHIBITOR TREATING ERECTILE DYSFUNCTION OF SEX DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-07-11 — — US disclosed
WO-1999064004-A1 QUINAZOLINONE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-16 — — WO disclosed
Send feedback