SCHEMBL11028744

SCHEMBL11028744

COc1nc(N(SC2CCCCC2)SC2CCCCC2)nc(N(SC2CCCCC2)SC2CCCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL11025660 0.85
SCHEMBL11030849 0.85
SCHEMBL11077143 0.83
SCHEMBL11027723 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11028209 0.77 PDE4A (0.32)
SCHEMBL11027253 0.74
SCHEMBL11162203 0.73 ADORA3 (0.33)
SCHEMBL11162514 0.71 ADORA3 (0.32)
SCHEMBL11027858 0.69 L3MBTL1 (0.43) ALDH1A1
SCHEMBL11030573 0.67 PDE4A (0.40)

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-0078784-B1 THIO-SUBSTITUTED-1,3,5-TRIAZINE-DIAMINES AND -TRIAMINES USEFUL AS PREVULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4460769-A Thio-amino-1,3,5-triazines MONSANTO COMPANY (US) 1984-07-17 US disclosed
EP-0078784-A1 Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors MONSANTO COMPANY (US) 1983-05-11 EP disclosed
US-4380609-A Prevulcanization inhibitors of thio-triazine-amines for rubber MONSANTO COMPANY (US) 1983-04-19 US disclosed