SCHEMBL8680049

SCHEMBL8680049

Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)C2)cc1.Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CC(C)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD4 P01730 2/20 0.70
SORT1 Q99523 1/20 0.70
NPSR1 Q6W5P4 1/20 0.66
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL4114708 0.94 NPSR1 (0.73) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL4113774 0.92 CD4 (0.80) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL8680053 0.84 CD4 (0.55) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL13925192 0.84 CD4 (0.81) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL13925218 0.83 CD4 (0.80) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL13925209 0.83 CD4 (0.80) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL4103044 0.83 CD4 (0.69) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL4114411 0.83 CD4 (0.69) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL7616547 0.82 CD4 (1.00) CD4SORT1NPSR1TSHRALDH1A1
SCHEMBL13925220 0.80 CD4 (0.74) CD4SORT1NPSR1TSHRALDH1A1

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-0809504-A4 ANTI-VIRAL TRIAZA COMPOUNDS UNIV NEW YORK STATE RES FOUND (US) 1998-11-04 EP disclosed
EP-0809504-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-12-03 EP disclosed
WO-1996025167-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-08-22 WO disclosed