SCHEMBL4193405

SCHEMBL4193405

O=S(=O)(O)OCCC1=NCCN1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
NISCH Q9Y2I1 3/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
TAAR1 Q96RJ0 2/20 0.37
ADRA1A P35348 5/20 0.36
ADRA2C P18825 4/20 0.36
ADRA1D P25100 4/20 0.36
ADRA1B P35368 4/20 0.36
ADRA2A P08913 3/20 0.36
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2B P18089 1/20 0.34
HTR1D P28221 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6362523 0.98 RAD52 (0.44) RAD52NISCHMAOAMAOBTAAR1
Sulfuric Acid SCHEMBL5604724 0.75 RAD52 (0.51) RAD52NISCHMAOAMAOBTAAR1
Water SCHEMBL29733608 0.74 HTR1D (0.45) RAD52NISCHMAOAMAOBTAAR1
SCHEMBL6251596 0.74 RAD52 (0.48) RAD52NISCHMAOAMAOBTAAR1
Sulfuric Acid SCHEMBL27883647 0.72 HTR1D (0.50) RAD52NISCHMAOAMAOBTAAR1
SCHEMBL9210434 0.71 RAD52 (0.44) RAD52NISCHMAOAMAOBTAAR1
SCHEMBL1362592 0.71 NISCH (0.65) NISCHMAOAMAOBTAAR1ADRA1A
Hydrochloric Acid SCHEMBL11604381 0.71 NISCH (0.47) NISCHMAOAMAOBTAAR1ADRA1A
SCHEMBL10144881 0.71
SCHEMBL9815902 0.70 RAD52 (0.41) RAD52NISCHTAAR1ADRA1AADRA2C

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-1642934-B1 TRANSPARENT RESIN COMPOSITION SANYO CHEMICAL IND LTD (JP) 2012-12-12 EP disclosed
US-7619037-B2 Transparent resin composition SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-17 US disclosed
US-20060281860-A1 Transparent resin composition SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-12-14 US disclosed
EP-1642934-A1 TRANSPARENT RESIN COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-05 EP disclosed