SCHEMBL3820394

SCHEMBL3820394

CCC(=N)SSC(=N)CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6250482 0.74
Hydrochloric Acid SCHEMBL152210 0.72
SCHEMBL21454652 0.72
Iodide SCHEMBL3822790 0.72
Hydrochloric Acid SCHEMBL9547112 0.69
SCHEMBL19823820 0.67
SCHEMBL13001790 0.67
SCHEMBL20732120 0.67
SCHEMBL8827953 0.67
SCHEMBL13001614 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094647-A2 ALBUMIN BINDING MOLECULES AND USES THEREOF Philochem AG (CH) 2009-09-02 EP claimed
WO-2008053360-A2 ALBUMIN BINDING MOLECULES AND USES THEREOF PHILOCHEM AG (CH) 2008-05-08 WO claimed
CN-108289906-A Antitumor activity drug delivery preparation 公立大学法人名古屋市立大学 2018-07-17 CN disclosed