SCHEMBL10656313

SCHEMBL10656313

CCCSC(=N)N/C=N\N

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10656317 1.00 NOS3 (0.45) NOS3NOS1NOS2TDP1
Bromide SCHEMBL10656301 0.87 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL10654003 0.83
SCHEMBL10654009 0.83
Bromide SCHEMBL10656815 0.82 BLM (0.43) NOS3NOS1NOS2TDP1
SCHEMBL10654610 0.82
SCHEMBL10653457 0.80
SCHEMBL10657640 0.80
Bromide SCHEMBL10657551 0.78
Bromide SCHEMBL10657666 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176546-B1 ISOTHIURONIUM SALTS PEREMARTONI VEGYIPARI VALLALAT (HU) 1988-03-02 EP claimed
EP-0176546-A1 ISOTHIURONIUM SALTS. PEREMARTONI VEGYIPARI VALLALAT (HU) 1986-04-09 EP claimed
WO-1985004399-A1 ISOTHIURONIUM SALTS PEREMARTONI VEGYIPARI VÁLLALAT (HU) 1985-10-10 WO claimed
EP-0176546-B1 ISOTHIURONIUM SALTS PEREMARTONI VEGYIPARI VALLALAT (HU) 1988-03-02 EP disclosed
US-4710578-A ANTITUMOR AGENTS, MITICIDES PEREMARTONI VEGYIPARI VALLALAT (HU) 1987-12-01 US disclosed
EP-0176546-A1 ISOTHIURONIUM SALTS. PEREMARTONI VEGYIPARI VALLALAT (HU) 1986-04-09 EP disclosed
WO-1985004399-A1 ISOTHIURONIUM SALTS PEREMARTONI VEGYIPARI VÁLLALAT (HU) 1985-10-10 WO disclosed