SCHEMBL10736615

SCHEMBL10736615

C[S+]([O-])c1ccc(-c2nc3cnncc3[nH]2)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 8/20 0.39
▸ MGAM O43451 5/20 0.39
▸ GAA P10253 5/20 0.39
▸ SI P14410 5/20 0.39
▸ MGAM2 Q2M2H8 5/20 0.39
▸ F2 P00734 4/20 0.38
▸ F10 P00742 4/20 0.38
▸ PLG P00747 4/20 0.38
▸ PLAU P00749 4/20 0.38
▸ PRSS1 P07477 4/20 0.38
▸ PLAT P00750 3/20 0.38
▸ HPN P05981 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ F7 P08709 1/20 0.32
▸ PTGES O14684 1/20 0.32

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
SCHEMBL10737627 0.87 PDE5A (0.35) PDE5APDE3BPDE3A
SCHEMBL9634788 0.85 AMY1A (0.38) AMY1AMGAMGAASIMGAM2
SCHEMBL10742305 0.84 PDE5A (0.47) AMY1APDE5APDE3BPDE3A
SCHEMBL10733507 0.81 PDE5A (0.38) AMY1AF2F10PLGPLAU
SCHEMBL10740634 0.81 AMY1A (0.41) AMY1AMGAMGAASIMGAM2
SCHEMBL10737121 0.79 AURKA (0.40) GAA
SCHEMBL10740355 0.79 AMY1A (0.60) AMY1AMGAMGAASIMGAM2
SCHEMBL10742034 0.77 MEN1 (0.40) MGAMGAASIMGAM2
SCHEMBL10739995 0.77 PDE5A (0.34) PDE5APDE3BPDE3A
SCHEMBL10736276 0.77 PDE5A (0.34) PDE5APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 — — US disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 — — EP disclosed
Send feedback