SCHEMBL1429807

SCHEMBL1429807

CCCS(=O)(=O)C1CNCCN1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 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
Dimethylamine SCHEMBL7773507 0.84 FAAH (0.34)
SCHEMBL24415263 0.74 APLNR (0.30)
SCHEMBL17582301 0.74 MEN1 (0.36) MEN1TSHRKMT2A
SCHEMBL4687892 0.72 MEN1 (0.30) MEN1TSHRKMT2A
SCHEMBL3907676 0.71 PSEN1 (0.35)
SCHEMBL7628300 0.70 LMNA (0.39) TSHR
SCHEMBL27732117 0.70 APLNR (0.30)
SCHEMBL27711909 0.70 APLNR (0.43)
SCHEMBL4195848 0.69 CYP3A4 (0.40) MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL28322225 0.68 LMNA (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300469-A2 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-03-30 EP claimed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO claimed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
EP-1638942-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005003097-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed